UCSF

ZINC20000443

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 Yes

Popular Name: [3-amino-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl](1,3-benzodioxol-5-yl)methanone [3-amino-6-methyl-4-(2-thienyl)-…

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CAS Number: 354555-88-7

Other Names:

MFCD02168162

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) 4.74 6.88 -11.04 2 6 0 78 449.557 3 ↓
Mid Mid (pH 6-8) 4.74 7.24 -33.32 3 6 1 79 450.565 3 ↓

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

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