UCSF

ZINC46009251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 34 Yes

Popular Name: 5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-6-(2-naphthyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4 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) 2.80 4.66 -47.39 4 10 -1 155 451.422 3 ↓
Hi High (pH 8-9.5) 2.80 4.78 -52.01 4 10 -1 155 451.422 3 ↓
Mid Mid (pH 6-8) 2.34 6.68 -16.99 5 10 0 152 452.43 3 ↓
Mid Mid (pH 6-8) 3.25 2.75 -100.35 3 10 -2 158 450.414 3 ↓

Activity (Go SEA)

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