In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 32 | Yes |
Popular Name: 1-[4-(3,4-dimethylphenoxy)butyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole 1-[4-(3,4-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) | 5.02 | 14.05 | -44.09 | 1 | 5 | 1 | 35 | 435.636 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.02 | 11.67 | -11.67 | 0 | 5 | 0 | 34 | 434.628 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.02 | 13.93 | -47.41 | 1 | 5 | 1 | 35 | 435.636 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.02 | 14.34 | -80.7 | 2 | 5 | 2 | 36 | 436.644 | 10 | ↓ |