| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 20 | No |
Popular Name: 2-(4-isopropyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one 2-(4-isopropyl-5-thioxo-1H-1,2,4…
| 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) | 1.67 | 6.95 | -110.59 | 4 | 6 | 2 | 82 | 289.364 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | -4.01 | -17.56 | 2 | 6 | 0 | 79 | 287.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
