In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2011 | 26 | No |
Popular Name: (4Z)-2-(2H-benzimidazol-2-yl)-4-[(4-dimethylaminophenyl)methylene]-5-methyl-pyrazol-3-one (4Z)-2-(2H-benzimidazol-2-yl)-4-…
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) | 3.12 | 7.6 | -93.22 | 2 | 6 | 2 | 66 | 347.422 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 8.38 | -37.3 | 3 | 6 | 0 | 67 | 348.43 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.