UCSF

ZINC05319867

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 9 Yes

Popular Name: 2-(1-Hydroxyethyl)pyridine 2-(1-Hydroxyethyl)pyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 126-27-2 , 18728-61-5 , 27911-63-3 , 59042-90-9 , [18728-61-5] , [59042-90-9]

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) 0.33 1.03 -4.5 1 2 0 33 123.155 1 ↓
Lo Low (pH 4.5-6) 0.33 1.31 -30.39 2 2 1 34 124.163 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 104 - 106 Enamine Building Blocks
MP 104...106 Enamine Building Blocks
MP 29 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID US5714615 IBM Patent Data

Activity (Go SEA)

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