| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2011 | 30 | 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) | 4.02 | 9.63 | -59.17 | 4 | 8 | 0 | 133 | 451.541 | 22 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 9.22 | -49.44 | 3 | 8 | -1 | 131 | 450.533 | 22 | ↓ |
No pre-computed analogs available. Try a structural similarity search.