| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one (2S)-1-(4-fluorophenyl)-2-(4-met…
| 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) | 1.88 | 6.16 | -37.69 | 1 | 3 | 1 | 25 | 251.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 3.79 | -6.57 | 0 | 3 | 0 | 24 | 250.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 6.17 | -37.53 | 1 | 3 | 1 | 25 | 251.325 | 3 | ↓ |
