| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | No |
Popular Name: 2-[[(5S)-3-phenyl-4,5-dihydroisoxazole-5-carbonyl]amino]oxyacetic 2-[[(5S)-3-phenyl-4,5-dihydroiso…
| 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) | 0.23 | 6.2 | -60.19 | 1 | 7 | -1 | 100 | 263.229 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 3.96 | -124.88 | 0 | 7 | -2 | 106 | 262.221 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 3.03 | -114.65 | 0 | 7 | -2 | 106 | 262.221 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
