| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2012 | 21 | Yes |
Popular Name: 4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]butanenitrile 4-[[4-oxo-5-(2-thienyl)-3H-thien…
| 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) | 3.46 | 7.46 | -21.4 | 1 | 4 | 0 | 70 | 333.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 6.22 | -46.01 | 0 | 4 | -1 | 73 | 332.455 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 7.97 | -17.19 | 1 | 4 | 0 | 70 | 333.463 | 5 | ↓ |
