Table 1.
Atom Type | Description | Hydrogen Bonding Donor/Acceptor? | VDW radii |
---|---|---|---|
C3 | sp3 hybridized carbon | N/A | 1.94 |
C2 | sp2 hybridized carbon | N/A | 1.90 |
C1 | sp hybridized carbon | N/A | 1.80 |
Car | aromatic carbon | N/A | 1.85 |
N4 | positively charged nitrogen | N/A (if no H bonded) / Donor (if H bonded) | 1.83 |
N3 | sp3 hybridized nitrogen | N/A (if no H bonded) / Donor (if H bonded) | 1.87 |
N2 | sp2 hybridized nitrogen | N/A (if no H bonded) / Donor (if H bonded) | 1.86 |
N1 | sp hybridized nitrogen | N/A | 1.85 |
Nar | aromatic nitrogen | N/A | 1.86 |
Nam | amide nitrogen | N/A (if no H bonded) / Donor (if H bonded) | 1.83 |
Npl3 | trigonal planar nitrogen | N/A (if no H bonded) / Donor (if H bonded) | 1.86 |
O3 | sp3 hybridized oxygen | Acceptor (if no H bonded) / Donor-Acceptor (if H bonded) | 1.74 |
O2 | sp2 hybridized oxygen | Acceptor | 1.66 |
S | sulfur | N/A | 2.09 |
P | phosphor | N/A | 2.03 |
F | fluorine | N/A | 1.55 |
Cl | chlorine | N/A | 2.00 |
Br | bromine | N/A | 2.20 |
I | Iodine | N/A | 2.40 |
Zn | zinc cation | N/A | 1.20 |