UCSF

ZINC06114316

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 14 Yes

Popular Name: 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 1-Oxo-1,2,3,4-tetrahydroisoquino…

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CAS Numbers: 63586-82-3 , [63586-82-3]

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) -1.10 -1.73 -48.65 1 4 -1 69 190.178 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 238-240° (dec) Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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