UCSF

ZINC19990649

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 36 No

Popular Name: 5-nitro-6-{2-[4-(2-{5-nitro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl}vinyl)-1-piperazinyl]vinyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione 5-nitro-6-{2-[4-(2-{5-nitro-1,3-…

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Other Names:

MFCD01029179

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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) -0.82 10.17 -64.39 0 16 0 186 504.46 6 ↓
Mid Mid (pH 6-8) -0.82 9.51 -122.48 1 16 1 187 505.468 6 ↓

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