| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 22 | Yes |
Popular Name: 5-(4-isopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one 5-(4-isopentylpiperazine-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) | 1.56 | 3.91 | -72.24 | 1 | 6 | 0 | 74 | 306.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 3.6 | -15.73 | 1 | 6 | 0 | 69 | 306.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 1.7 | -53.99 | 0 | 6 | -1 | 72 | 305.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 5.82 | -49.9 | 2 | 6 | 1 | 70 | 307.418 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
