| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 26 | Yes |
Popular Name: Butanamide, N-cyclohexyl-4-[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]- Butanamide, N-cyclohexyl-4-[(6-h…
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CAS Number: 120164-98-9
| 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) | 4.79 | 6.82 | -14.17 | 3 | 5 | 0 | 74 | 375.538 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.79 | 7.21 | -32.78 | 4 | 5 | 1 | 75 | 376.546 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0295656A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.