UCSF

ZINC04990243

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 21 Yes

Popular Name: 2-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 2-Benzyl-6,7-dimethoxy-1,2,3,4-t…

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CAS Number: 31756-14-6

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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) 2.76 9.59 -45.16 1 3 1 23 284.379 4 ↓
Mid Mid (pH 6-8) 2.76 7.32 -7.47 0 3 0 22 283.371 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0154842A2; US4678792 IBM Patent Data

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