| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 31 | 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) | 5.00 | 14.45 | -31.3 | 1 | 5 | 1 | 50 | 424.915 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.00 | 14.13 | -16.31 | 0 | 5 | 0 | 48 | 423.907 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.00 | 15.05 | -88.89 | 2 | 5 | 2 | 51 | 425.923 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
