| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 22 | No |
Popular Name: 3-(3,4-Dimethoxy-phenyl)-2-mercapto-3H-quinazolin-4-one 3-(3,4-Dimethoxy-phenyl)-2-merca…
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CAS Number: 422274-46-2
| 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) | 2.17 | 7.84 | -17.54 | 1 | 5 | 0 | 56 | 314.366 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 7.42 | -45.48 | 0 | 5 | -1 | 53 | 313.358 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
