In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 31 | Yes |
Popular Name: 1-[4-(3,5-dimethylphenoxy)butyl]-2-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]benzimidazole 1-[4-(3,5-dimethylphenoxy)butyl]…
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) | 4.91 | 12.7 | -43.04 | 1 | 5 | 1 | 35 | 421.609 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.91 | 13.55 | -87.78 | 2 | 5 | 2 | 36 | 422.617 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.91 | 12.6 | -38.79 | 1 | 5 | 1 | 35 | 421.609 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.91 | 10.34 | -10.67 | 0 | 5 | 0 | 34 | 420.601 | 8 | ↓ |