UCSF

ZINC00393723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: Isobutyl salicylate Isobutyl salicylate

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CAS Numbers: 87-19-4 , [87-19-4]

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) 3.25 1.26 -7.55 1 3 0 46 194.23 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.251 Bitter DB
BP 259 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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