UCSF

ZINC04725620

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 16 Yes

Popular Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butan-1-one 1-(3,4-dihydro-1H-isoquinolin-2-…

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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) 2.71 1.1 -7.34 0 2 0 20 217.312 2 ↓

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