| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: 2-[4-(4-amino-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4-amino-1H-pyrazole-3-carb…
| 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) | -1.70 | -0.51 | -43.1 | 6 | 8 | 1 | 123 | 267.313 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.70 | -2.12 | -14.25 | 5 | 8 | 0 | 121 | 266.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
