UCSF

ZINC20444535

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 No

Popular Name: (Z)-2-cyano-N-(2-fluoro-5-methylphenyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2-propenamide (Z)-2-cyano-N-(2-fluoro-5-methyl…

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CAS Number: 866151-40-8

Other Names:

MFCD05669193

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.70 9.36 -37.72 1 4 -1 76 363.29 5 ↓
Ref Reference (pH 7) 4.88 9.25 -38.61 1 4 -1 76 363.29 4 ↓
Hi High (pH 8-9.5) 5.07 7.72 -119.82 0 4 -2 82 362.282 4 ↓
Lo Low (pH 4.5-6) 3.86 9.18 -12.08 1 4 0 70 364.298 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.