| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 24 | Yes |
Popular Name: 2-[[5-(dimethylamino)-4-isopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one 2-[[5-(dimethylamino)-4-isopropy…
| 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) | 2.29 | 9.75 | -16.74 | 1 | 7 | 0 | 80 | 344.444 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 7.33 | -55.7 | 0 | 7 | -1 | 83 | 343.436 | 5 | ↓ |
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)