In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 40 | Yes |
Popular Name: (3S)-1-(4-benzhydrylpiperazin-1-yl)-3-(1-methylindol-3-yl)-3-(m-tolyl)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) | 6.83 | 19.08 | -12.61 | 0 | 4 | 0 | 28 | 527.712 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.83 | 20.81 | -48.46 | 1 | 4 | 1 | 30 | 528.72 | 7 | ↓ |