| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2014 | 46 | 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) | 0.50 | 5.92 | -53.84 | 3 | 12 | 1 | 128 | 652.802 | 24 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 3.77 | -17.9 | 2 | 12 | 0 | 127 | 651.794 | 24 | ↓ |
No pre-computed analogs available. Try a structural similarity search.