| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 34 | Yes |
Popular Name: (4-benzylpiperazin-1-yl)-[(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-3-piperidyl]methanone (4-benzylpiperazin-1-yl)-[(3S)-1…
| 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) | 3.93 | 12.56 | -12.84 | 0 | 6 | 0 | 53 | 459.569 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 14.83 | -51 | 1 | 6 | 1 | 54 | 460.577 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.93 | 15.19 | -93.26 | 2 | 6 | 2 | 55 | 461.585 | 5 | ↓ |
