UCSF

ZINC04050746

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 21 No

Popular Name: 3-(1,3-benzodioxol-5-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[(2,2…

Find On: PubMed — Wikipedia — Google

CAS Number: 174502-41-1

Other Names:

MFCD03012193

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) 0.43 0.4 -51.71 1 6 -1 87 304.2 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 150 - 153 KeyOrganics

Activity (Go SEA)

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