| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3R)-3-phenyl-3-(9H-purin-6-ylsulfanyl)propanenitrile (3R)-3-phenyl-3-(9H-purin-6-ylsu…
| 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) | 1.58 | 9.34 | -17.24 | 1 | 5 | 0 | 78 | 281.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 8.86 | -43.2 | 0 | 5 | -1 | 77 | 280.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
