UCSF

ZINC61483962

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 15 Yes

Popular Name: (2S)-2-[[cyclobutylmethyl(methyl)amino]methyl]cyclohexanone (2S)-2-[[cyclobutylmethyl(methyl…

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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) 2.34 8.81 -32.42 1 2 1 22 210.341 4 ↓
Hi High (pH 8-9.5) 2.34 6.92 -4.73 0 2 0 20 209.333 4 ↓

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

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