UCSF

ZINC34006738

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 23 Yes

Popular Name: Ethyl(2R,3S)-3-(benzoylamino)-2-hydroxybenzenepropanoale Ethyl(2R,3S)-3-(benzoylamino)-2-…

Find On: PubMed — Wikipedia — Google

CAS Number: [153433-80-8]

Other Names:

MFCD11617952

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) 2.31 7.44 -10.69 2 5 0 76 313.353 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0626953A1; US5420337; US5602272; US5686298; US5808102; US5817867; US5973160; US6090951; WO1994014787A1 IBM Patent Data

Activity (Go SEA)

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