| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(4-hydroxypyrimidin-2-yl)sulfanyl-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-(4-hydroxyp…
| 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) | 2.11 | 3.85 | -11.36 | 2 | 5 | 0 | 82 | 278.381 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 1.79 | -43.35 | 1 | 5 | -1 | 85 | 277.373 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.11 | 4.8 | -48.71 | 3 | 5 | 1 | 86 | 279.389 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
