In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 28 | Yes |
Popular Name: 2-[3-(4-methylpiperazin-1-yl)propyl]-1-(2-phenoxyethyl)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) | 3.66 | 11.26 | -41.18 | 1 | 5 | 1 | 35 | 379.528 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 8.89 | -9.41 | 0 | 5 | 0 | 34 | 378.52 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 11.14 | -44.08 | 1 | 5 | 1 | 35 | 379.528 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.66 | 11.56 | -78.97 | 2 | 5 | 2 | 36 | 380.536 | 8 | ↓ |