| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 16 | Yes |
Popular Name: (3S)-3-[(3-methylisoxazol-5-yl)methylamino]azepan-2-one (3S)-3-[(3-methylisoxazol-5-yl)m…
| 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) | 0.44 | 2.79 | -49.28 | 3 | 5 | 1 | 72 | 224.284 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 2.43 | -11.86 | 2 | 5 | 0 | 67 | 223.276 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
