| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2011 | 25 | 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) | 5.67 | 3.04 | -44 | 1 | 5 | -1 | 81 | 409.299 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.67 | 3.82 | -85.37 | 0 | 5 | -2 | 84 | 408.291 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.22 | 4.87 | -12.56 | 2 | 5 | 0 | 78 | 410.307 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
