| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 9th, 2009 | 38 | 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) | 3.82 | 10.85 | -42.14 | 0 | 8 | -1 | 101 | 515.586 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.82 | 9.72 | -22.41 | 1 | 8 | 0 | 98 | 516.594 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.82 | 10.16 | -57.48 | 2 | 8 | 1 | 99 | 517.602 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
