| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(9H-purin-6-ylsulfanyl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(9H…
| 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) | 0.67 | 4.81 | -15.68 | 3 | 6 | 0 | 104 | 260.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 4.36 | -43.03 | 2 | 6 | -1 | 103 | 259.318 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 5.08 | -59.48 | 4 | 6 | 1 | 106 | 261.334 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
