UCSF

ZINC16735621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 Yes

Popular Name: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(3-chlorophenyl)acetamide 2-[[6-(4-butoxyphenyl)-3-cyano-4…

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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) 7.01 13.18 -16.6 1 5 0 75 519.976 10 ↓
Lo Low (pH 4.5-6) 7.01 13.35 -53.97 2 5 1 76 520.984 10 ↓

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

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