In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 32 | Yes |
Popular Name: 2-(azepan-1-ylmethyl)-1-[4-(2-isopropyl-5-methyl-phenoxy)butyl]benzimidazole 2-(azepan-1-ylmethyl)-1-[4-(2-is…
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) | 6.46 | 17.08 | -43.19 | 1 | 4 | 1 | 31 | 434.648 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.46 | 15.62 | -8.74 | 0 | 4 | 0 | 30 | 433.64 | 9 | ↓ |