UCSF

ZINC20896812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 Yes

Popular Name: 6-(3-chlorophenyl)-5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-1,7-dihydropyrrolo[4,5-e]pyrimidine 6-(3-chlorophenyl)-5-(2,4-dioxo-…

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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) 2.27 2.78 -46.98 4 10 -1 155 435.807 3 ↓
Hi High (pH 8-9.5) 2.72 2.23 -98.7 3 10 -2 158 434.799 3 ↓
Mid Mid (pH 6-8) 1.81 4.49 -22.53 5 10 0 152 436.815 3 ↓
Mid Mid (pH 6-8) 2.72 2.23 -98.71 3 10 -2 158 434.799 3 ↓

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

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