| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(4-hydroxypyrimidin-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) | 1.81 | 3.17 | -11.4 | 2 | 5 | 0 | 82 | 264.354 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 1.08 | -43.62 | 1 | 5 | -1 | 85 | 263.346 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 4.17 | -50.46 | 3 | 5 | 1 | 86 | 265.362 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
