UCSF

ZINC65526606

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

Popular Name: 2-[(3aS,4R,6R,6aR)-6-(hydroxymethyl)-2-methyl-4-tetrahydropyran-4-yl-1,3,3a,4,5,6a-hexahydropyrrolo[ 2-[(3aS,4R,6R,6aR)-6-(hydroxymet…

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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) 0.40 -1.18 -43.69 4 5 1 66 285.408 4 ↓
Mid Mid (pH 6-8) 0.40 -2.93 -41.51 4 5 1 70 285.408 4 ↓
Lo Low (pH 4.5-6) 0.40 -0.28 -111.46 5 5 2 71 286.416 4 ↓

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

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