UCSF

ZINC53885459

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[ethy…

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Download: MOL2 SDF SMILES Flexibase

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) 3.56 7.14 -31.06 2 3 1 34 298.491 6 ↓
Hi High (pH 8-9.5) 3.56 5.15 -2.98 1 3 0 33 297.483 6 ↓

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

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