| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(9H-purin-6-ylsulfanyl)propanenitrile (2S)-2-cyclopropyl-2-(methylamin…
| 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) | 1.04 | 4.86 | -15.76 | 2 | 6 | 0 | 90 | 274.353 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 4.41 | -36.33 | 1 | 6 | -1 | 89 | 273.345 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 6.04 | -45.32 | 3 | 6 | 1 | 95 | 275.361 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
