UCSF

ZINC20896794

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 36 Yes

Popular Name: 1-methyl-5-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-6-(2-naphthyl)-7H-pyrrolo[3,2-e]pyrimid 1-methyl-5-(1-methyl-2,4-dioxo-6…

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Download: MOL2 SDF SMILES Flexibase

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) 2.93 7.16 -61.95 2 10 -1 134 479.476 3 ↓
Mid Mid (pH 6-8) 3.39 4.6 -136.05 1 10 -2 137 478.468 3 ↓
Mid Mid (pH 6-8) 2.48 9.61 -21.79 3 10 0 130 480.484 3 ↓
Mid Mid (pH 6-8) 2.93 7.81 -64.84 2 10 -1 134 479.476 3 ↓

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