UCSF

ZINC08586583

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 34 Yes

Popular Name: 8-(4-ethylphenyl)-5-methyl-9-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-3,5,7-triazabicyclo[4 8-(4-ethylphenyl)-5-methyl-9-(1-…

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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) 2.66 6.45 -61.81 2 10 -1 134 457.47 4 ↓
Mid Mid (pH 6-8) 3.12 3.78 -135.5 1 10 -2 137 456.462 4 ↓
Mid Mid (pH 6-8) 2.21 9.19 -17.18 3 10 0 130 458.478 4 ↓

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