| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 34 | 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) | 3.71 | 11.49 | -72.55 | 1 | 7 | 0 | 83 | 464.562 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 8.96 | -57.02 | 0 | 7 | -1 | 82 | 463.554 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 10.67 | -52.67 | 2 | 7 | 1 | 81 | 465.57 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
