UCSF

ZINC02529131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 2-HYDROXY-2-(2-METHYLPHENYL)ETHYLAMINE OXALATE 2-HYDROXY-2-(2-METHYLPHENYL)ETHY…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1170238-97-7 , 133562-34-2

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 0.76 -45.41 4 2 1 48 152.217 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 88 - 90 Enamine Building Blocks
MP 88...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0627397A1; EP0627397B1; EP0654534A2; EP0654534A3; EP0654534B1; EP0924193A1; EP0924194A2; EP0939134A1; US5508461; US5629200; US5679557; US5811293; US5902900; US6114582 IBM Patent Data

Activity (Go SEA)

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