| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2011 | 32 | Yes |
| 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) | 3.21 | 7.31 | -20.1 | 0 | 8 | 0 | 98 | 456.568 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 7.69 | -51.66 | 1 | 8 | 1 | 100 | 457.576 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | GPR | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.