| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2014 | 33 | Yes |
| 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) | 5.06 | 12.56 | -60.42 | 1 | 4 | -1 | 77 | 449.611 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.06 | 13.36 | -112.82 | 0 | 4 | -2 | 80 | 448.603 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 5.06 | 10.63 | -16.35 | 2 | 4 | 0 | 75 | 450.619 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.