UCSF

ZINC30725153

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 25 Yes

Popular Name: (S)-3,9,10-Trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol (S)-3,9,10-Trimethoxy-6,8,13,13a…

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CAS Numbers: 483-34-1 , [483-34-1]

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) 2.44 4.75 -13.2 1 5 0 51 341.407 3 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links COOMT_COPJA; SMT_COPJA ChEBI

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