| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2008 | 22 | Yes |
Popular Name: 2-[(5-isopropyl-4H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one 2-[(5-isopropyl-4H-1,2,4-triazol…
| 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) | 2.60 | 6.85 | -11.64 | 2 | 6 | 0 | 87 | 315.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 4.46 | -52.79 | 1 | 6 | -1 | 90 | 314.394 | 4 | ↓ |
![2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-quinazolin-4-one](http://zinc12.docking.org/img/rings/43965.gif)
