Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Experimental IC50 values and RO5 parameters for test compounds. * represents one violation of Lipinski’s RO5.
| Peptide | IC50 ± SD [µM] | Glide Gscore [kcal/mol] |
MMGBSA Binding Energy [kcal/mol] |
MW [g/mol] | logP | nHBD | nHBA | logKp [cm/s] | RO5 |
|---|---|---|---|---|---|---|---|---|---|
| CVL | 261.79 ± 3.64 | −8.415 | −11.11 | 333.45 | −0.13 | 4 | 5 | 10.44 | Yes |
| CSF | 136.04 ± 4.02 | −7.966 | −18.75 | 355.41 | −0.92 | 5 | 6 | 10.61 | Yes |
| CSN | 177.74 ± 2.66 | −7.943 | −15.75 | 322.34 | −3.37 | 6 | 7 | 12.63 | Yes * |
| Kojic acid | 45.14 ± 1.52 | - | - | 142.11 | −0.16 | 2 | 4 | 7.62 | Yes |
