| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 18 | Yes |
Popular Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(3,5-dimethylisoxazol-4-yl…
| 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) | 0.12 | 6.44 | -52.88 | 1 | 5 | 1 | 51 | 252.338 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 4.58 | -12.25 | 0 | 5 | 0 | 50 | 251.33 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
