UCSF

ZINC49543646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 39 Yes

Popular Name: 5-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]p 5-[2-(4-benzyl-1-piperidyl)-2-ox…

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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) 2.80 15.38 -83.68 1 8 1 83 533.645 9 ↓
Mid Mid (pH 6-8) 2.80 13.11 -33.43 0 8 0 81 532.637 9 ↓

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

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