| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 23 | No |
Popular Name: 4-chloro-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-nitro-benzamide 4-chloro-N-[(4-isopropyl-5-sulfa…
| 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) | 1.45 | 8.6 | -18.15 | 2 | 8 | 0 | 109 | 355.807 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 8.39 | -48.03 | 1 | 8 | -1 | 106 | 354.799 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide](http://zinc12.docking.org/img/rings/171536.gif)