| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 22 | No |
Popular Name: 3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid 3-(4-fluorophenyl)-2-mercapto-4-…
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CAS Number: 438574-40-4
| 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) | 2.36 | 9.24 | -40.67 | 1 | 5 | -1 | 78 | 315.305 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 8.95 | -91.42 | 0 | 5 | -2 | 75 | 314.297 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
