| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | Yes |
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CAS Number: 57928-04-8
| 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) | 2.11 | 7.48 | -33.87 | 1 | 1 | 1 | 4 | 162.256 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 5.2 | -2.59 | 0 | 1 | 0 | 3 | 161.248 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4097487; US4197243 | IBM Patent Data |
