| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 31 | 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) | 3.63 | 7.06 | -22.84 | 1 | 8 | 0 | 100 | 442.493 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 7.88 | -58.54 | 0 | 8 | -1 | 103 | 441.485 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
