| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2011 | 27 | Yes |
Popular Name: 1-[[cyclohexylmethyl(propyl)amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[[cyclohexylmethyl(propyl)amin…
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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) | 3.96 | 14.72 | -48.73 | 1 | 6 | 1 | 57 | 368.505 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 13.12 | -11.58 | 0 | 6 | 0 | 55 | 367.497 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one](http://zinc12.docking.org/img/rings/2049.gif)
![1-[(cyclohexylmethylamino)methyl]-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one](http://zinc12.docking.org/img/rings/201330.gif)