UCSF

ZINC53929551

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 19 Yes

Popular Name: (2R,4S)-2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanone (2R,4S)-2-[[cyclopentyl(2-hydrox…

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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) 2.75 7.24 -35.75 2 3 1 42 268.421 6 ↓
Hi High (pH 8-9.5) 2.75 4.96 -4.98 1 3 0 41 267.413 6 ↓

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

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