| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 34 | 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) | 4.03 | 9.06 | -65.69 | 3 | 7 | 1 | 89 | 486.589 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 6.94 | -56.54 | 1 | 7 | -1 | 90 | 484.573 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 9.1 | -89.68 | 2 | 7 | 0 | 91 | 485.581 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 6.9 | -20.72 | 2 | 7 | 0 | 88 | 485.581 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
