| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 20 | 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) | 1.96 | 4.49 | -36.48 | 2 | 4 | 1 | 42 | 298.476 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 3.24 | -4.26 | 1 | 4 | 0 | 37 | 297.468 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 6.48 | -89.28 | 3 | 4 | 2 | 43 | 299.484 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
