| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 26 | Yes |
Popular Name: 4-[[(3S)-4-benzyl-3-ethyl-5-oxo-1,4-diazepan-1-yl]methyl]-1H-pyrazole-3-carboxylic 4-[[(3S)-4-benzyl-3-ethyl-5-oxo-…
| 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) | 1.61 | 9.51 | -37.19 | 2 | 7 | 0 | 94 | 356.426 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 7.97 | -68.21 | 1 | 7 | -1 | 92 | 355.418 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
