| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 13 | 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) | -1.75 | -2.65 | -57.28 | 4 | 6 | 1 | 94 | 203.247 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.75 | -3.45 | -39.3 | 2 | 6 | -1 | 90 | 201.231 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.75 | -2.96 | -13.75 | 3 | 6 | 0 | 92 | 202.239 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
