| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 25 | Yes |
Popular Name: 2-oxo-2-(4-phenyl-1-piperazinyl)ethyl9H-purin-6-ylsulfide 2-oxo-2-(4-phenyl-1-piperazinyl)…
| 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) | 1.48 | 8.86 | -17.01 | 1 | 7 | 0 | 78 | 354.439 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 8.38 | -43.3 | 0 | 7 | -1 | 76 | 353.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
