UCSF

ZINC63751373

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Substance Information

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

Popular Name: (4aS)-N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-4aH-pyrrolo[3,2-d]pyrimidine-7-carbox (4aS)-N-(3-chlorophenyl)-3-(4-fl…

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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) 2.64 7.17 -18.09 1 7 0 82 412.808 3 ↓
Mid Mid (pH 6-8) 2.82 4.96 -54.51 0 7 -1 88 411.8 3 ↓

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

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