UCSF

ZINC01715842

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 25 Yes

Popular Name: 1-(3,4-Dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol 1-(3,4-Dimethoxybenzyl)-6-methox…

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CAS Numbers: 5977-85-5 , [5977-85-5]

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) 2.68 1.09 -49.22 2 5 1 52 344.431 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.172 Bitter DB
PUBCHEM_PATENT_ID EP0355575A2; EP0355575B1; EP0872903A1; US4018927; US4202980; US4757124; US4758639; US5196164; US5298220; US6096144 IBM Patent Data

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