| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 37 | 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) | 3.60 | 11.25 | -50.77 | 1 | 9 | -1 | 122 | 516.603 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 9.52 | -51 | 1 | 9 | -1 | 122 | 516.603 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 9.93 | -19.02 | 2 | 9 | 0 | 120 | 517.611 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
