| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 21 | No |
Popular Name: 2-Mercapto-4-oxo-3-phenyl-3,4-dihydro-quinazoline-7-carboxylic acid 2-Mercapto-4-oxo-3-phenyl-3,4-di…
Find On: PubMed — Wikipedia — Google
CAS Number: 379245-45-1
| 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) | 2.20 | 9.18 | -42.73 | 1 | 5 | -1 | 78 | 297.315 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 8.88 | -97.3 | 0 | 5 | -2 | 75 | 296.307 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 368 - 370 | Enamine Building Blocks |
| MP | 368...370 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.