UCSF

ZINC20896821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 Yes

Popular Name: 5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-6-(3-fluoro-4-methoxy-phenyl)-1,7-dihydropyrrolo[3,2-e 5-(2,4-dioxo-6-pyrrol-1-yl-1H-py…

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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) 1.30 3.64 -22.43 5 11 0 161 450.386 4 ↓
Hi High (pH 8-9.5) 2.22 0.73 -109.91 3 11 -2 168 448.37 4 ↓
Mid Mid (pH 6-8) 1.76 2.51 -48.25 4 11 -1 164 449.378 4 ↓

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

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