In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 29 | Yes |
Popular Name: 2-[(1S)-1-(azepan-1-yl)ethyl]-1-[(4-tert-butylphenyl)methyl]benzimidazole 2-[(1S)-1-(azepan-1-yl)ethyl]-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) | 6.68 | 15.2 | -37.86 | 1 | 3 | 1 | 22 | 390.595 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.68 | 13.3 | -7.72 | 0 | 3 | 0 | 21 | 389.587 | 5 | ↓ |