| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 36 | 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) | 3.55 | 12.81 | -43.09 | 2 | 8 | 0 | 119 | 497.588 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 11.77 | -50.67 | 1 | 8 | -1 | 114 | 496.58 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.