| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 24 | Yes |
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) | 3.47 | 4.88 | -11.47 | 1 | 5 | 0 | 59 | 324.38 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 5.46 | -42.53 | 0 | 5 | -1 | 62 | 323.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.47 | 7.18 | -37.9 | 2 | 5 | 1 | 60 | 325.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
