| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2013 | 35 | 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) | 3.10 | 8.67 | -44.33 | 6 | 9 | 1 | 125 | 479.605 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 8.69 | -18.53 | 5 | 9 | 0 | 123 | 478.597 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 8.3 | -18.36 | 5 | 9 | 0 | 123 | 478.597 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.