UCSF

ZINC19365196

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 13 Yes

Popular Name: 2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine 2-(3,4-dihydroisoquinolin-2(1H)-…

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CAS Numbers: 53356-51-7 , [53356-51-7]

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) 0.54 2.55 -46.2 3 2 1 31 177.271 2 ↓
Hi High (pH 8-9.5) 0.54 4.44 -34.64 3 2 1 30 177.271 2 ↓
Lo Low (pH 4.5-6) 0.54 4.88 -121.75 4 2 2 32 178.279 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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