| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2011 | 21 | No |
Popular Name: (5S)-N-[(3S)-3-cyanotetrahydrothiophen-3-yl]-5-phenyl-4,5-dihydroisoxazole-3-carboxamide (5S)-N-[(3S)-3-cyanotetrahydroth…
| 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) | 1.53 | 5.68 | -11.05 | 1 | 5 | 0 | 74 | 301.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 3.44 | -42.83 | 0 | 5 | -1 | 81 | 300.363 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
