| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 30 | 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) | 3.52 | -2.27 | -19.75 | 1 | 8 | 0 | 105 | 447.9 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | -1.69 | -44.27 | 0 | 8 | -1 | 107 | 446.892 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.