UCSF

ZINC53926153

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-[[benzyl(ethyl)amino]methyl]cycloheptanone (2R)-2-[[benzyl(ethyl)amino]meth…

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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) 3.58 10.08 -37.09 1 2 1 22 260.401 5 ↓
Hi High (pH 8-9.5) 3.58 8.68 -6.02 0 2 0 20 259.393 5 ↓

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

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