| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 35 | 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) | -2.21 | 2.48 | -103.25 | 3 | 12 | -1 | 189 | 576.705 | 11 | ↓ |
| Mid Mid (pH 6-8) | -2.21 | 1 | -120.49 | 2 | 12 | -2 | 185 | 575.697 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4205166 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
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