In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 28 | Yes |
Popular Name: 2-(azepan-1-ylmethyl)-1-[[4-[(1R)-1-methylpropyl]phenyl]methyl]benzimidazole 2-(azepan-1-ylmethyl)-1-[[4-[(1R…
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) | 6.27 | 15.95 | -40.05 | 1 | 3 | 1 | 22 | 376.568 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.27 | 14.34 | -7.49 | 0 | 3 | 0 | 21 | 375.56 | 6 | ↓ |