| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 24 | No |
Popular Name: 2-[4-[(5S)-3-phenyl-4,5-dihydroisoxazole-5-carbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(5S)-3-phenyl-4,5-dihydroi…
| 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) | 0.17 | 5.85 | -54.59 | 3 | 7 | 1 | 89 | 331.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 4.23 | -19.56 | 2 | 7 | 0 | 88 | 330.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
