| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanyl-propanenitrile (2S)-2-amino-2-cyclopropyl-3-(5-…
| 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) | 1.88 | 4.12 | -10.99 | 2 | 4 | 0 | 76 | 234.328 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 4.39 | -47.8 | 3 | 4 | 1 | 77 | 235.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
