In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 30 | Yes |
Popular Name: 2-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-phenoxybutyl)benzimidazole 2-[3-(4-methylpiperazin-1-yl)pro…
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) | 4.20 | 12.81 | -43.95 | 1 | 5 | 1 | 35 | 407.582 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.20 | 10.44 | -11.5 | 0 | 5 | 0 | 34 | 406.574 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 12.7 | -47.41 | 1 | 5 | 1 | 35 | 407.582 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 13.11 | -80.66 | 2 | 5 | 2 | 36 | 408.59 | 10 | ↓ |