| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 20 | Yes |
Popular Name: 1-piperazin-1-yl-3-(9H-purin-6-ylsulfanyl)propan-1-one 1-piperazin-1-yl-3-(9H-purin-6-y…
| 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) | -0.54 | 5.14 | -62.35 | 3 | 7 | 1 | 91 | 293.376 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | 3.37 | -43.34 | 1 | 7 | -1 | 85 | 291.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | 3.9 | -16.23 | 2 | 7 | 0 | 87 | 292.368 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
