UCSF

ZINC02795203

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 28 No

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

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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) 3.62 6.21 -42.93 1 7 -1 104 415.834 5 ↓
Lo Low (pH 4.5-6) 3.17 8.17 -15.17 2 7 0 101 416.842 5 ↓
Lo Low (pH 4.5-6) 3.62 6.44 -46.62 1 7 -1 104 415.834 5 ↓

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