| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(9H-purin-6-ylsulfanyl)phenyl]ethanamine (1S)-1-[3-bromo-4-(9H-purin-6-yl…
| 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) | 0.68 | 6.75 | -60.25 | 4 | 5 | 1 | 82 | 351.253 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 6.27 | -77.75 | 3 | 5 | 0 | 80 | 350.245 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 5.94 | -39.74 | 2 | 5 | -1 | 79 | 349.237 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
