| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2010 | 31 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-4-[(2S)-2-(2-quinolyl)-2H-indol-3-yl]butan-1-one 1-(4-methylpiperazin-1-yl)-4-[(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) | 4.07 | 10.9 | -15.32 | 1 | 5 | 0 | 52 | 412.537 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.07 | 13.25 | -50.94 | 2 | 5 | 1 | 53 | 413.545 | 5 | ↓ |
