| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 22 | No |
Popular Name: 2-ethyl-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)pyrazole-3-carboxamide 2-ethyl-4-(4-keto-2-thioxo-1H-qu…
| 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) | 0.55 | 3.81 | -22.44 | 3 | 7 | 0 | 99 | 315.358 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 3.37 | -48.43 | 2 | 7 | -1 | 96 | 314.35 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
