| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(9H-purin-6-ylsulfanyl)propanenitrile (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) | 1.42 | 5.77 | -15.55 | 2 | 6 | 0 | 90 | 288.38 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.32 | -36.17 | 1 | 6 | -1 | 89 | 287.372 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 6.85 | -42.43 | 3 | 6 | 1 | 95 | 289.388 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
