| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: 2-[4-(4-bromo-3-methyl-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4-bromo-3-methyl-1H-pyrazo…
| 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) | -0.15 | 2.62 | -45.59 | 4 | 7 | 1 | 97 | 345.221 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 1 | -15.02 | 3 | 7 | 0 | 95 | 344.213 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
