UCSF

ZINC04268515

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Methyl 3-amino-5-fluoro-benzo[b]thiophene-2-carboxylate Methyl 3-amino-5-fluoro-benzo[b]…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 144899-95-6 , 835912-83-9

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) 1.55 4.77 -6.79 2 3 0 52 225.244 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 144-146° Oakwood Chemical
MP 144-146°C Fluorochem
Purity 95% Fluorochem

Activity (Go SEA)

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