In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 31 | Yes |
Popular Name: 1-[4-(3-methylphenoxy)butyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole 1-[4-(3-methylphenoxy)butyl]-2-[…
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) | 4.62 | 13.49 | -44.07 | 1 | 5 | 1 | 35 | 421.609 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.62 | 11.12 | -11.55 | 0 | 5 | 0 | 34 | 420.601 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.62 | 13.37 | -47.42 | 1 | 5 | 1 | 35 | 421.609 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.62 | 13.78 | -80.77 | 2 | 5 | 2 | 36 | 422.617 | 10 | ↓ |