UCSF

ZINC08586550

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 32 Yes

Popular Name: 2-methyl-7-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-8-phenyl-2,4,9-triazabicyclo[4.3.0]nona 2-methyl-7-(1-methyl-2,4-dioxo-6…

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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) 1.75 4.9 -62.04 2 10 -1 134 429.416 3 ↓
Mid Mid (pH 6-8) 1.29 7.66 -18.22 3 10 0 130 430.424 3 ↓
Mid Mid (pH 6-8) 2.21 2.33 -135.38 1 10 -2 137 428.408 3 ↓

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