| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | 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) | 4.78 | 7.68 | -9.87 | 1 | 2 | 0 | 33 | 281.742 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.78 | 8.46 | -45.44 | 0 | 2 | -1 | 36 | 280.734 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.78 | 8 | -32.64 | 2 | 2 | 1 | 34 | 282.75 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
