| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2006 | 23 | Yes |
Popular Name: 4-{[(4-oxo-6-phenyl-1,4-dihydro-2-pyrimidinyl)sulfanyl]methyl}benzonitrile 4-{[(4-oxo-6-phenyl-1,4-dihydro-…
| 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) | 4.18 | 9.67 | -14.18 | 1 | 4 | 0 | 70 | 319.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.63 | 8.57 | -47.68 | 0 | 4 | -1 | 73 | 318.381 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 8.98 | -18.86 | 1 | 4 | 0 | 70 | 319.389 | 4 | ↓ |
