| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 21 | No |
Popular Name: 4-[(1S)-1-(o-tolyl)ethyl]-5-phenyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(o-tolyl)ethyl]-5-phen…
| 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) | 4.65 | 10.2 | -48.37 | 0 | 3 | -1 | 31 | 294.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 10.51 | -11.15 | 1 | 3 | 0 | 34 | 295.411 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
