| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 21 | Yes |
Popular Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one 2-[(4-amino-5-methyl-1,2,4-triaz…
| 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) | 1.00 | 5.94 | -15.46 | 3 | 7 | 0 | 102 | 302.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.49 | -54.18 | 2 | 7 | -1 | 106 | 301.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(4H-1,2,4-triazol-3-ylthio)methyl]-3H-quinazolin-4-one](http://zinc12.docking.org/img/rings/94837.gif)