| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 22 | Yes |
Popular Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N,N-diethyl-1,4-diazepane-1-carboxamide 4-[(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) | 1.41 | 8.17 | -52.54 | 1 | 6 | 1 | 54 | 309.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 6.02 | -12.33 | 0 | 6 | 0 | 53 | 308.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
