| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 20 | Yes |
Popular Name: (2S)-2-(1-methylindolin-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile (2S)-2-(1-methylindolin-5-yl)-2-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.67 | 7.35 | -41.77 | 1 | 4 | 1 | 35 | 271.388 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 4.99 | -6.17 | 0 | 4 | 0 | 34 | 270.38 | 2 | ↓ |
