| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 14 | 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) | 0.50 | 4.53 | -117.85 | 4 | 3 | 2 | 45 | 214.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 4.15 | -37.43 | 3 | 3 | 1 | 44 | 213.326 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
