| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | Yes |
Popular Name: 3-(4-ethyl-1,4-diazepane-1-carbonyl)-6-methyl-1-phenyl-pyridazin-4-one 3-(4-ethyl-1,4-diazepane-1-carbo…
| 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) | 1.65 | 11.44 | -51.48 | 1 | 6 | 1 | 60 | 341.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 9.61 | -19.4 | 0 | 6 | 0 | 58 | 340.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
