UCSF

ZINC36231183

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 No

Popular Name: 4-(4-Hydroxy-3-nitro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid benzyl ester 4-(4-Hydroxy-3-nitro-phenyl)-6-m…

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CAS Number: 300689-98-9

Other Names:

MFCD00619454

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) 3.80 9.55 -14.06 3 8 0 116 399.428 6 ↓
Hi High (pH 8-9.5) 3.84 9.58 -90.57 1 8 -2 120 397.412 6 ↓

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