In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 21 | Yes |
Popular Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-N-methyl-methanesulfonamide N-[(3S,4R)-6-cyano-3-hydroxy-2,2…
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) | 1.06 | 2.06 | -12.04 | 1 | 6 | 0 | 91 | 310.375 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0807629A1 | IBM Patent Data |