UCSF

ZINC53927840

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

Popular Name: (2R)-2-[[benzyl(2-hydroxyethyl)amino]methyl]cycloheptanone (2R)-2-[[benzyl(2-hydroxyethyl)a…

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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) 2.57 7.63 -35.03 2 3 1 42 276.4 6 ↓
Hi High (pH 8-9.5) 2.57 5.7 -6.9 1 3 0 41 275.392 6 ↓

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

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