| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile (2R)-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) | 2.57 | 4.27 | -12.25 | 3 | 5 | 0 | 96 | 278.381 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 2.35 | -45.22 | 2 | 5 | -1 | 99 | 277.373 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.57 | 4.55 | -59.4 | 4 | 5 | 1 | 97 | 279.389 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
