UCSF

ZINC04100966

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 8 Yes

Popular Name: 2,2-Dimethyl-3-hydroxypropionic acid 2,2-Dimethyl-3-hydroxypropionic …

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CAS Numbers: 1115-20-4 , 4835-90-9 , [4835-90-9]

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) 0.09 -0.06 -44.2 1 3 -1 60 117.124 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 118 - 120 Enamine Building Blocks
MP 118...120 Enamine Building Blocks
Melting_Point 122-126? Alfa-Aesar
Melting_Point 122-126° Alfa-Aesar
MP 126 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

Activity (Go SEA)

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