UCSF

ZINC01747147

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 No

Popular Name: 3,3-dimethyl-2-oxobutanoic acid 3,3-dimethyl-2-oxobutanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 149-73-5 , 815-17-8 , [149-73-5] , [815-17-8]

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) 0.43 3.42 -45.19 0 3 -1 57 129.135 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 80 / 15 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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