In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 34 | Yes |
Popular Name: (4-benzhydrylpiperazin-1-yl)-[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methanone (4-benzhydrylpiperazin-1-yl)-[(2…
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) | 4.76 | 13.64 | -17.4 | 0 | 5 | 0 | 44 | 459.634 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.76 | 15.23 | -45.67 | 1 | 5 | 1 | 45 | 460.642 | 5 | ↓ |