| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 37 | Yes |
| 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) | 3.23 | 5.55 | -19.27 | 2 | 10 | 0 | 121 | 531.679 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 4.05 | -64.92 | 1 | 10 | -1 | 124 | 530.671 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 7.86 | -52.96 | 3 | 10 | 1 | 122 | 532.687 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.