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pKa, log P, and log D of phenothiazinium dyes calculated in silico with ChemAxon software. The pH of organelles was obtained from Ref.26.
| pKa | log P | log D (pH 7.4) | log D (lysosomes; pH 4.7) | log D (mitochondria; pH 8.0) | |
|---|---|---|---|---|---|
| MB | 3.14 | − 0.51 | − 0.62 | − 0.63 | − 0.62 |
| NMB | 7.03 | 3.55 | 3.72 | 1.52 | 3.84 |
| TBO | 3.17 | − 1.09 | − 1.04 | − 1.05 | − 1.04 |
| DMMB | 3.86 | 0.23 | 0.29 | 0.23 | 0.29 |
