UCSF

ZINC65530822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 Yes

Popular Name: methyl 2-({2,4-bisnitrobenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate methyl 2-({2,4-bisnitrobenzoyl}a…

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Other Names:

MFCD01243621

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) 1.94 6.31 -84.67 4 4 2 46 250.39 2 ↓
Hi High (pH 8-9.5) 1.94 4.05 -31.97 3 4 1 45 249.382 2 ↓
Mid Mid (pH 6-8) 1.94 5.82 -36.22 3 4 1 45 249.382 2 ↓

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

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