| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2010 | 14 | 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) | 1.36 | 3.49 | -8.7 | 1 | 3 | 0 | 46 | 189.214 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 0.94 | -43.17 | 0 | 3 | -1 | 52 | 188.206 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 0.94 | -43.18 | 0 | 3 | -1 | 52 | 188.206 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
