| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 24 | No |
Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide 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) | -0.42 | 6.81 | -19.72 | 3 | 7 | 0 | 96 | 343.412 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 6.45 | -96.05 | 1 | 7 | -2 | 96 | 341.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 6.62 | -58.94 | 2 | 7 | -1 | 93 | 342.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-keto-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1H-quinoline-3-carboxamide](http://zinc12.docking.org/img/rings/305594.gif)