| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 22 | No |
Popular Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoic-acid-methyl-ester 2-(4-keto-2-thioxo-1H-quinazolin…
| 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) | 2.31 | 9.43 | -19.95 | 1 | 5 | 0 | 64 | 312.35 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 9.01 | -54.16 | 0 | 5 | -1 | 61 | 311.342 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 94 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
