UCSF

ZINC67172556

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 19 No

Popular Name: (4-oxo-2-thioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl)acetic acid (4-oxo-2-thioxo-1,4-dihydro[1]be…

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CAS Numbers: 951304-87-3 , [951304-87-3]

Other Names:

MFCD19705626

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) 1.17 5.54 -121.03 0 6 -2 94 274.257 2 ↓
Mid Mid (pH 6-8) 0.71 6.94 -57.33 1 6 -1 91 275.265 2 ↓

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

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