| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 25 | No |
Popular Name: 4-butyl-2-[[methyl(propyl)amino]methyl]-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4-butyl-2-[[methyl(propyl)amino]…
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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) | 3.27 | 15.37 | -39.9 | 1 | 6 | 1 | 49 | 360.507 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 12.86 | -8.8 | 0 | 6 | 0 | 47 | 359.499 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-thioxo-2,4-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-5-one](http://zinc12.docking.org/img/rings/123461.gif)