| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 22 | Yes |
Popular Name: 2-[isopropyl(methyl)amino]-1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]ethanone 2-[isopropyl(methyl)amino]-1-[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) | 0.87 | 8.53 | -47.3 | 1 | 6 | 1 | 54 | 306.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 6.31 | -14.3 | 0 | 6 | 0 | 53 | 305.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
