| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 42 | 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) | 3.77 | 8.94 | -55.72 | 4 | 10 | 1 | 145 | 583.702 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 8.61 | -10.94 | 3 | 10 | 0 | 143 | 582.694 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 9.41 | -106.82 | 5 | 10 | 2 | 146 | 584.71 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
