In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 37 | Yes |
Popular Name: (3S)-1-(4-benzhydrylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-thienyl)propan-1-one (3S)-1-(4-benzhydrylpiperazin-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) | 5.93 | 15.72 | -14.27 | 1 | 4 | 0 | 39 | 505.687 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.93 | 17.46 | -49.54 | 2 | 4 | 1 | 41 | 506.695 | 7 | ↓ |