| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 41 | No |
| 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) | 5.06 | 14.05 | -35.66 | 1 | 8 | 0 | 80 | 591.528 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.06 | 11.12 | -14.32 | 1 | 8 | 0 | 80 | 591.528 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.06 | 11.1 | -47.22 | 0 | 8 | -1 | 79 | 590.52 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
