UCSF

ZINC49546164

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 Yes

Popular Name: 3-[(4-propylcyclohexyl)amino]-2H-isoquinolin-1-one 3-[(4-propylcyclohexyl)amino]-2H…

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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) 4.62 9.37 -7.91 2 3 0 45 284.403 4 ↓

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

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