UCSF

ZINC00950126

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 Yes

Popular Name: ethyl 4-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}benzoate ethyl 4-{[(3-amino-4,6-dimethylt…

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CAS Number: N/A

Other Names:

MFCD02740582

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) 3.91 -1.6 -12.74 3 6 0 94 369.446 5 ↓
Lo Low (pH 4.5-6) 3.91 -1.56 -39.59 4 6 1 95 370.454 5 ↓

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Rings

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

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