UCSF

ZINC31703551

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 37 Yes

Popular Name: 1,2,4-Butanetricarboxylic acid, tri(2-ethylhexyl) ester; 1,2,4-Butanetricarboxylic acid, tris(2-ethylhexyl) ester; BRN 1895671; LS-46026 1,2,4-Butanetricarboxylic acid, …

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 9.11 21.61 -8.26 0 6 0 79 526.799 27 ↓

Activity (Go SEA)

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