| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 31 | 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) | 2.36 | 9.27 | -73.52 | 1 | 7 | 0 | 87 | 423.513 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 6.96 | -60.5 | 0 | 7 | -1 | 86 | 422.505 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 8.46 | -54.78 | 2 | 7 | 1 | 84 | 424.521 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.