| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2010 | 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) | 2.70 | 4.26 | -12.24 | 2 | 6 | 0 | 96 | 364.781 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 5.03 | -43.81 | 1 | 6 | -1 | 99 | 363.773 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 5.27 | -44.35 | 1 | 6 | -1 | 99 | 363.773 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.