UCSF

ZINC19092703

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 13 Yes

Popular Name: ethyl 4-amino-2-chlorobenzoate ethyl 4-amino-2-chlorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16017-69-9 , [16017-69-9]

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) 1.83 4.34 -7.95 2 3 0 52 199.637 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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