| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 27 | Yes |
Popular Name: 4-[[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[[4-(2-methoxyacetyl)-1,4-diaz…
| 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) | 0.60 | 8.05 | -31.06 | 0 | 7 | 0 | 60 | 372.469 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 9.87 | -56.54 | 1 | 7 | 1 | 61 | 373.477 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
