UCSF

ZINC20000556

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 Yes

Popular Name: 6-methyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile 6-methyl-2-{[2-(trifluoromethyl)…

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CAS Number: 445382-45-6

Other Names:

MFCD03075948

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) 4.01 8.79 -8.67 0 3 0 40 363.408 4 ↓

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

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