| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 29 | Yes |
Popular Name: (3R)-3-(4-benzylpiperazine-1-carbonyl)-1-(4-bromo-2-methyl-phenyl)pyrrolidin-2-one (3R)-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) | 3.69 | 10.72 | -10.55 | 0 | 5 | 0 | 44 | 456.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 10.73 | -54.78 | 0 | 5 | -1 | 50 | 455.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 12.97 | -69.19 | 1 | 5 | 0 | 51 | 456.384 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.69 | 12.93 | -44.97 | 1 | 5 | 1 | 45 | 457.392 | 4 | ↓ |
