In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 31 | Yes |
Popular Name: 1-[4-(4-chloro-3-methyl-phenoxy)butyl]-2-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]benzimidazole 1-[4-(4-chloro-3-methyl-phenoxy)…
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) | 5.13 | 12.47 | -42.56 | 1 | 5 | 1 | 35 | 442.027 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.13 | 13.18 | -87.38 | 2 | 5 | 2 | 36 | 443.035 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.13 | 12.34 | -39.5 | 1 | 5 | 1 | 35 | 442.027 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.13 | 10.09 | -10.54 | 0 | 5 | 0 | 34 | 441.019 | 8 | ↓ |