UCSF

ZINC63751337

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 29 No

Popular Name: (4aR)-N-(4-bromo-2-methyl-phenyl)-5-methyl-2,4-dioxo-3-phenyl-4aH-pyrrolo[3,2-d]pyrimidine-7-carboxa (4aR)-N-(4-bromo-2-methyl-phenyl…

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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) 3.01 8.11 -18.02 1 7 0 82 453.296 3 ↓
Hi High (pH 8-9.5) 3.19 5.92 -58.88 0 7 -1 88 452.288 3 ↓

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

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