| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…
| 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) | 2.58 | 5.05 | -8.09 | 1 | 4 | 0 | 62 | 262.382 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 6.06 | -38.26 | 2 | 4 | 1 | 66 | 263.39 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
