| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 20 | 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) | 5.38 | 8.18 | -6.3 | 1 | 2 | 0 | 33 | 326.193 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.38 | 8.16 | -38.51 | 0 | 2 | -1 | 35 | 325.185 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.38 | 8.96 | -45.68 | 0 | 2 | -1 | 35 | 325.185 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.38 | 7.8 | -37.89 | 2 | 2 | 1 | 34 | 327.201 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.38 | 8.67 | -6.69 | 2 | 2 | 0 | 34 | 327.201 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
