In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 40 | Yes |
Popular Name: (3S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)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) | 6.57 | 18.45 | -13.2 | 0 | 4 | 0 | 28 | 531.675 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.57 | 20.24 | -49.07 | 1 | 4 | 1 | 30 | 532.683 | 7 | ↓ |