UCSF

ZINC01871911

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 18 Yes

Popular Name: Diethyl 2,2'-(1,4-phenylene)diacetate Diethyl 2,2'-(1,4-phenylene)diac…

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CAS Numbers: 36076-26-3 , [36076-26-3]

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) 2.77 3.82 -9.91 0 4 0 52 250.294 8 ↓

Vendor Notes

Note Type Comments Provided By
BP 140 / 4 TCI
MP 59 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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