UCSF

ZINC01386262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 16 Yes

Popular Name: 5-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide 5-bromo-N-cyclopropyl-1-benzothi…

Find On: PubMed — Wikipedia — Google

CAS Number: 439108-13-1

Other Names:

MFCD03012929

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) 3.49 6.51 -6.61 1 2 0 29 296.189 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 234 - 236 KeyOrganics

Activity (Go SEA)

Rings

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

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