| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 20 | No |
Popular Name: BRD-A83360695-001-01-3 BRD-A83360695-001-01-3
2-Mercapto-4-methyl-6-phenyl-1,6-dihydro-pyrimidine-5-carboxylic acid isopropyl ester
isopropyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| 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) | 3.28 | 8.74 | -9.46 | 2 | 4 | 0 | 50 | 290.388 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 7.52 | -39.28 | 1 | 4 | -1 | 51 | 289.38 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 176 - 178 | MolMall (formerly Molecular Diversity Preservation International) |
