In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 30 | Yes |
Popular Name: 1-[2-(4-chloro-3-methyl-phenoxy)ethyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole 1-[2-(4-chloro-3-methyl-phenoxy)…
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) | 4.71 | 12.37 | -41.98 | 1 | 5 | 1 | 35 | 428 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.71 | 10 | -9.39 | 0 | 5 | 0 | 34 | 426.992 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 12.25 | -45.43 | 1 | 5 | 1 | 35 | 428 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.71 | 12.66 | -80.88 | 2 | 5 | 2 | 36 | 429.008 | 8 | ↓ |