| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 21 | No |
Popular Name: 2-(4-fluorophenyl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(4-fluorophenyl)-N-[(4-isoprop…
| 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) | 1.14 | 7.45 | -15.4 | 2 | 5 | 0 | 63 | 308.382 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 7.25 | -43.79 | 1 | 5 | -1 | 60 | 307.374 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-phenyl-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide](http://zinc12.docking.org/img/rings/305379.gif)