| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 19 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(4-hydroxypyrimidin-2-yl)sulfanyl-propanoic (2S)-2-cyclopropyl-2-(ethylamino…
| 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) | -0.71 | 4.64 | -34.42 | 3 | 6 | 0 | 102 | 283.353 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.71 | 2.89 | -63.09 | 2 | 6 | -1 | 98 | 282.345 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 2.56 | -62.56 | 2 | 6 | -1 | 106 | 282.345 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
