UCSF

ZINC67172898

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 22 No

Popular Name: (3-methyl-4-oxo-7-phenyl-2-thioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)acetic acid (3-methyl-4-oxo-7-phenyl-2-thiox…

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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) 2.04 9.42 -48.87 1 6 -1 83 314.346 3 ↓
Mid Mid (pH 6-8) 1.55 8.16 -105.83 0 6 -2 86 313.338 3 ↓

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

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