| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 20 | Yes |
Popular Name: 2,2-dimethyl-1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]propan-1-one 2,2-dimethyl-1-[4-[(5-methylisox…
| 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) | 1.87 | 7.59 | -48.93 | 1 | 5 | 1 | 51 | 280.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 5.72 | -15.1 | 0 | 5 | 0 | 50 | 279.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
