UCSF

ZINC00046104

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 Yes

Popular Name: 4-(4-Methoxy-phenyl)-2-methylsulfanyl-6-phenyl-nicotinonitrile 4-(4-Methoxy-phenyl)-2-methylsul…

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CAS Numbers: , 90745-12-3

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) 5.01 2.33 -9.24 0 3 0 45 332.428 4 ↓
Lo Low (pH 4.5-6) 5.01 2.49 -35.18 1 3 1 47 333.436 4 ↓

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