UCSF

ZINC53929591

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 17 Yes

Popular Name: (2S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]cyclopentanone (2S)-2-[[cyclohexyl(2-hydroxyeth…

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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) 2.06 5.61 -32.03 2 3 1 42 240.367 5 ↓
Hi High (pH 8-9.5) 2.06 4.64 -5.74 1 3 0 41 239.359 5 ↓

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

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