In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-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) | 2.98 | 8.68 | -53.64 | 3 | 3 | 1 | 45 | 284.358 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 8.22 | -9.14 | 2 | 3 | 0 | 44 | 283.35 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 9.16 | -117.81 | 4 | 3 | 2 | 47 | 285.366 | 4 | ↓ |