UCSF

ZINC20429565

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 12 Yes

Popular Name: 7-Aminoheptanoic acid ethyl ester hydrochloride 7-Aminoheptanoic acid ethyl este…

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CAS Numbers: 1117-66-4 , 1177-66-4 , 29840-65-1 , [29840-65-1]

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) 1.10 4.29 -46.13 3 3 1 54 174.264 8 ↓

Vendor Notes

Note Type Comments Provided By
MP 118 - 120 Enamine Building Blocks
MP 118...120 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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