UCSF

ZINC02800804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 30 No

Popular Name: (5E)-5-(3-chloro-5-methoxy-4-p-anisoyloxy-benzylidene)-6-keto-2-thioxo-pyrimidin-4-olate (5E)-5-(3-chloro-5-methoxy-4-p-a…

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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) 3.41 6.13 -43.98 1 8 -1 114 445.86 6 ↓
Lo Low (pH 4.5-6) 2.95 7.87 -16.82 2 8 0 110 446.868 6 ↓
Lo Low (pH 4.5-6) 3.41 5.88 -43.04 1 8 -1 114 445.86 6 ↓

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

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