| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | 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) | 1.34 | 4.54 | -38.92 | 4 | 5 | 1 | 69 | 298.451 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 2.42 | -6.6 | 3 | 5 | 0 | 68 | 297.443 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 4.65 | -110.57 | 5 | 5 | 2 | 73 | 299.459 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
