| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 18 | 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) | 3.61 | 9.31 | -116.9 | 3 | 2 | 2 | 21 | 252.446 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 7.08 | -35.8 | 2 | 2 | 1 | 20 | 251.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 8.16 | -33.61 | 2 | 2 | 1 | 16 | 251.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
