| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 10 | 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) | -1.85 | -3.1 | -27.6 | 2 | 6 | -1 | 103 | 140.078 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.39 | -5.64 | -97.16 | 1 | 6 | -2 | 107 | 139.07 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.85 | -3.15 | -10.51 | 3 | 6 | 0 | 106 | 141.086 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
