In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(benzimidazol-1-yl)-1-(4-chlorophenyl)propan-2-amine (1S,2S)-1-(benzimidazol-1-yl)-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) | 2.96 | 8.31 | -53.35 | 3 | 3 | 1 | 45 | 286.786 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 7.87 | -8.7 | 2 | 3 | 0 | 44 | 285.778 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 8.8 | -114.77 | 4 | 3 | 2 | 47 | 287.794 | 3 | ↓ |