UCSF

ZINC00404740

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 Yes

Popular Name: 3-(Boc-Amino)benzoic acid 3-(Boc-Amino)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 111331-82-9 , [111331-82-9]

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) 2.72 -0.01 -60.43 1 5 -1 78 236.247 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 185 - 187 Enamine Building Blocks
MP 185...187 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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