| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 29 | 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) | 3.58 | 7.92 | -57.42 | 3 | 5 | 1 | 58 | 416.973 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 6.78 | -11.98 | 2 | 5 | 0 | 54 | 415.965 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 10.05 | -134.03 | 4 | 5 | 2 | 59 | 417.981 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
