| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 22 | Yes |
Popular Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-ethyl-butan-1-one 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) | 2.21 | 8.84 | -50.73 | 1 | 5 | 1 | 51 | 308.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 7.07 | -12.28 | 0 | 5 | 0 | 50 | 307.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
