UCSF

ZINC00803838

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 33 Yes

Popular Name: 2-{[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide 2-{[3-cyano-6-methyl-4-(2-thieny…

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CAS Number: 496018-61-2

Other Names:

MFCD02950136

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.53 10.41 -61.13 2 7 1 89 481.623 7 ↓
Lo Low (pH 4.5-6) 3.53 10.62 -131.44 3 7 2 90 482.631 7 ↓

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

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