UCSF

ZINC00155971

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

Popular Name: Ethyl 4-[(chloroacetyl)amino]benzoate Ethyl 4-[(chloroacetyl)amino]ben…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26226-72-2 , 26226-72-7 , 6307-66-0 , [26226-72-2]

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) 2.27 0.91 -12.52 1 4 0 55 241.674 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 38 - 40 Enamine Building Blocks
MP 38...40 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.