| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-hydroxypyrimidin-2-yl)sulfanyl-propanenitrile (2S)-2-amino-2-cyclopropyl-3-(4-…
| 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) | 1.51 | -0.21 | -45.61 | 2 | 5 | -1 | 99 | 235.292 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 1.78 | -13.31 | 3 | 5 | 0 | 96 | 236.3 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 2.05 | -60.26 | 4 | 5 | 1 | 97 | 237.308 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
