| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 17 | Yes |
Popular Name: (3R)-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile (3R)-3-[(4-oxo-6-propyl-1H-pyrim…
| 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) | 2.77 | 7.15 | -12.86 | 1 | 4 | 0 | 70 | 251.355 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 5.81 | -42.66 | 0 | 4 | -1 | 73 | 250.347 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 7.14 | -15.43 | 1 | 4 | 0 | 70 | 251.355 | 6 | ↓ |
