| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 20 | No |
Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-methyl-benzamide N-[(4-isopropyl-5-sulfanyl-1,2,4…
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| 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) | 1.31 | 7.36 | -12.6 | 2 | 5 | 0 | 63 | 290.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 7.17 | -42.67 | 1 | 5 | -1 | 60 | 289.384 | 4 | ↓ |
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)