UCSF

ZINC63751400

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 30 No

Popular Name: (4aR)-N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-4aH-pyrrolo[3,2-d]pyrimidine-7-ca (4aR)-N-(3,4-dimethylphenyl)-3-(…

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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) 2.81 8.01 -18.57 1 7 0 82 406.417 3 ↓
Hi High (pH 8-9.5) 3.00 5.67 -61.14 0 7 -1 88 405.409 3 ↓

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

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