| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 27 | 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) | 3.76 | 7.43 | -11.49 | 2 | 6 | 0 | 84 | 451.704 | 5 | ↓ |
| Ref Reference (pH 7) | 3.76 | 7.94 | -9.92 | 2 | 6 | 0 | 84 | 451.704 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 8.35 | -48.36 | 1 | 6 | -1 | 87 | 450.696 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 8.81 | -42 | 1 | 6 | -1 | 87 | 450.696 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
