| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-(5-methylpy…
| 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) | 3.13 | 5.74 | -7.51 | 1 | 4 | 0 | 62 | 276.409 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 6.85 | -38.34 | 2 | 4 | 1 | 66 | 277.417 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
