UCSF

ZINC05925317

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 11 Yes

Popular Name: L-Isoleucine ethyl ester hydrochloride L-Isoleucine ethyl ester hydroch…

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CAS Numbers: 56782-52-6 , 921-74-4 , [56782-52-6] , [56782-56-6]

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) 1.04 3.28 -41.73 3 3 1 54 160.237 5 ↓
Hi High (pH 8-9.5) 9.83 22.08 -7.04 0 3 0 36 526.742 15 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 92 Enamine Building Blocks
MP 90...92 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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