| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 32 | Yes |
None
| 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) | 2.46 | 12.9 | -54.24 | 2 | 7 | 1 | 67 | 428.564 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 10.39 | -15.16 | 1 | 7 | 0 | 66 | 427.556 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 15.4 | -126.36 | 3 | 7 | 2 | 68 | 429.572 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6107321; WO1997011945A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
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