UCSF

ZINC53928455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 Yes

Popular Name: (2S,4R)-4-methyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanone (2S,4R)-4-methyl-2-[[methyl-[(2-…

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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) 1.58 8.07 -36.37 1 3 1 34 267.418 4 ↓
Mid Mid (pH 6-8) 1.58 6.22 -10.12 0 3 0 33 266.41 4 ↓

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

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