| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2007 | 19 | Yes |
Popular Name: 3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-4-fluoro-benzonitrile 3-[(4,6-diaminopyrimidin-2-yl)su…
| 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) | 2.36 | -2.39 | -10.82 | 4 | 5 | 0 | 102 | 275.312 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | -2.17 | -35.11 | 5 | 5 | 1 | 103 | 276.32 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | -2 | -104.4 | 6 | 5 | 2 | 104 | 277.328 | 3 | ↓ |
