In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 20 | Yes |
Popular Name: (1S,2R)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)propan-1-amine (1S,2R)-2-(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) | 1.14 | 7.96 | -59.62 | 3 | 3 | 1 | 45 | 270.331 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.14 | 7.73 | -7.79 | 2 | 3 | 0 | 44 | 269.323 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 8.4 | -128.25 | 4 | 3 | 2 | 47 | 271.339 | 3 | ↓ |