| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 31 | No |
None
None
| 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) | 3.68 | 5.44 | -10.27 | 1 | 7 | 0 | 81 | 488.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 6.02 | -42.61 | 0 | 7 | -1 | 84 | 487.326 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 7.74 | -43.22 | 2 | 7 | 1 | 83 | 489.342 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
