UCSF

ZINC46009243

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 31 Yes

Popular Name: 5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-6-(p-tolyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-di 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) 2.06 3.07 -47.24 4 10 -1 155 415.389 3 ↓
Hi High (pH 8-9.5) 2.06 3.19 -51.1 4 10 -1 155 415.389 3 ↓
Mid Mid (pH 6-8) 2.52 1.17 -99.19 3 10 -2 158 414.381 3 ↓
Mid Mid (pH 6-8) 1.60 5.08 -16.36 5 10 0 152 416.397 3 ↓

Activity (Go SEA)

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