UCSF

ZINC05161153

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 Yes

Popular Name: But-2-ene-1,4-diyl diacetate But-2-ene-1,4-diyl diacetate

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CAS Numbers: 18621-75-5 , 25260-60-0 , [18621-75-5]

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) 0.98 3.41 -9.12 0 4 0 52 172.18 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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