UCSF

ZINC53313845

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 30 No

Popular Name: (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(4R,5S)-6-[2-(4-nitrocyclohexyl)ethylamino]-4,5,7,8-tetrahydropur (2R,3S,4R,5S)-2-(hydroxymethyl)-…

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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) -0.26 -4.65 -45.82 6 12 1 169 427.482 7 ↓
Hi High (pH 8-9.5) -0.26 -5.01 -17.73 5 12 0 168 426.474 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.