| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 32 | 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) | 3.10 | 8.27 | -18.27 | 3 | 9 | 0 | 121 | 465.926 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 9.11 | -48.8 | 4 | 9 | 1 | 122 | 466.934 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 6.47 | -44.6 | 4 | 9 | 1 | 122 | 466.934 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.