UCSF

ZINC19853429

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 Yes

Popular Name: methyl 2-{[(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)carbonyl]amino}-4,5-dimethoxybenzoate methyl 2-{[(3-amino-6-methyl-5,6…

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Other Names:

MFCD05995635

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) 2.70 4.39 -14.55 3 9 0 116 456.524 6 ↓
Mid Mid (pH 6-8) 2.70 4.75 -37.3 4 9 1 117 457.532 6 ↓

Activity (Go SEA)

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