| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 39 | 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) | 0.64 | 15.02 | -110.75 | 2 | 11 | -2 | 173 | 523.505 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 12.58 | -190.22 | 1 | 11 | -3 | 176 | 522.497 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.11 | 15.44 | -79.13 | 3 | 11 | -1 | 177 | 524.513 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
