| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 22 | 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) | 1.84 | 7.09 | -41.39 | 3 | 5 | 1 | 54 | 318.47 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 4.93 | -7.38 | 2 | 5 | 0 | 53 | 317.462 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 8.47 | -110.79 | 4 | 5 | 2 | 59 | 319.478 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
