| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | Yes |
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) | 2.58 | 5.14 | -47.71 | 4 | 3 | 1 | 56 | 230.335 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 4.73 | -7.78 | 3 | 3 | 0 | 55 | 229.327 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 5.58 | -92.65 | 5 | 3 | 2 | 58 | 231.343 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
