| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 23 | Yes |
Popular Name: 4-[(3S)-3-[(4-hydroxyphenyl)methyl]-5-oxo-3H-1,2,4-triazol-4-yl]benzoic 4-[(3S)-3-[(4-hydroxyphenyl)meth…
| 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) | 2.33 | 4.59 | -102.7 | 1 | 7 | -2 | 114 | 309.281 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 6.33 | -50.07 | 2 | 7 | -1 | 111 | 310.289 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
