UCSF

ZINC22014374

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 Yes

Popular Name: Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate Methyl 1,2,3,4-tetrahydroisoquin…

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CAS Numbers: 173089-82-2 , 185057-00-5 , 877861-62-6

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) 1.64 3.77 -6.24 1 3 0 38 191.23 2 ↓
Lo Low (pH 4.5-6) 1.64 5.2 -52.18 2 3 1 43 192.238 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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