| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 25 | No |
Popular Name: 2-(4-dimethylaminophenyl)-4-hydroxy-1-phenyl-6-sulfanyl-2H-pyrimidine-5-carbonitrile 2-(4-dimethylaminophenyl)-4-hydr…
| 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) | 2.96 | 9.32 | -45.23 | 1 | 5 | -1 | 59 | 349.439 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 6.79 | -114.89 | 0 | 5 | -2 | 66 | 348.431 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 6.83 | -51.47 | 2 | 5 | 0 | 64 | 350.447 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 10.09 | -56.72 | 2 | 5 | 0 | 61 | 350.447 | 3 | ↓ |
