UCSF

ZINC01677818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 Yes

Popular Name: 2-Ethylhexyl 2-hydroxybenzoate 2-Ethylhexyl 2-hydroxybenzoate

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CAS Number: 118-60-5

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) 5.32 8.41 -7.32 1 3 0 47 250.338 8 ↓
Hi High (pH 8-9.5) 5.32 9.41 -50.24 0 3 -1 49 249.33 8 ↓

Vendor Notes

Note Type Comments Provided By
BP 190 / 21 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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