| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 28 | Yes |
Popular Name: (3S)-3-(4-benzylpiperazine-1-carbonyl)-1-(4-bromophenyl)pyrrolidin-2-one (3S)-3-(4-benzylpiperazine-1-car…
| 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) | 3.31 | 9.44 | -13.63 | 0 | 5 | 0 | 44 | 442.357 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 9.39 | -42.74 | 0 | 5 | -1 | 50 | 441.349 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 11.6 | -40.5 | 1 | 5 | 0 | 51 | 442.357 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 11.64 | -47 | 1 | 5 | 1 | 45 | 443.365 | 4 | ↓ |
