| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 17 | No |
Popular Name: ethyl 6-hydroxy-2-mercapto-6-(trifluoromethyl)-1,6-dihydropyrimidine-5-carboxylate ethyl 6-hydroxy-2-mercapto-6-(tr…
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CAS Number: 941084-09-9
| 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) | 0.47 | 0.27 | -32.2 | 2 | 5 | -1 | 77 | 269.224 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 0.92 | -94.99 | 1 | 5 | -2 | 80 | 268.216 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 1.81 | -94.05 | 1 | 5 | -2 | 74 | 268.216 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | -1.02 | -97.64 | 1 | 5 | -2 | 77 | 268.216 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 1.53 | -11.72 | 3 | 5 | 0 | 71 | 270.232 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 1.07 | -33.73 | 2 | 5 | -1 | 71 | 269.224 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
