| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: (3R)-1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-3-methyl-1,4-diazepan-2-one (3R)-1-[[1-(1-ethylpropyl)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) | 1.74 | 6.42 | -44.78 | 2 | 5 | 1 | 55 | 279.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 4.98 | -14.94 | 1 | 5 | 0 | 50 | 278.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
