| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 31 | No |
Popular Name: (2S)-5-cyano-6-keto-2-(4-octoxyphenyl)-3-phenyl-1,2-dihydropyrimidine-4-thiolate (2S)-5-cyano-6-keto-2-(4-octoxyp…
| 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) | 6.37 | 13.86 | -44.32 | 1 | 5 | -1 | 65 | 434.585 | 10 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 11.3 | -110.63 | 0 | 5 | -2 | 72 | 433.577 | 10 | ↓ |
