UCSF

ZINC65508547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 28 Yes

Popular Name: 2-[(3aR,4R,6S,6aS)-4-(hydroxymethyl)-6-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-2-methyl-1,3,3a,5 2-[(3aR,4R,6S,6aS)-4-(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) 1.17 1.86 -39.32 4 7 1 84 387.504 6 ↓
Hi High (pH 8-9.5) 1.17 -0.77 -9.91 3 7 0 83 386.496 6 ↓

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

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