In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 33 | Yes |
Popular Name: (4S)-4-(4-benzylpiperazine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one (4S)-4-(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) | 2.26 | 9.41 | -15.39 | 0 | 7 | 0 | 62 | 451.567 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 11.69 | -58.22 | 1 | 7 | 1 | 64 | 452.575 | 8 | ↓ |