| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-5-one 1-[(3,5-dimethylisoxazol-4-yl)me…
| 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) | -0.16 | 3.01 | -56.61 | 2 | 5 | 1 | 60 | 224.284 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.16 | 1.01 | -13.18 | 1 | 5 | 0 | 58 | 223.276 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
