UCSF

ZINC63926047

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 23 Yes

CAS Number: 315-22-0

Other Names:

MFCD00084656

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) 0.70 0.75 -7.98 2 7 0 96 325.361 0

Vendor Notes

Note Type Comments Provided By
MP 197-198° Oakwood Chemical
MP 197-201° Oakwood Chemical
Purity 99% Fluorochem
Purity 99.9% Fluorochem
Purity >99% Fluorochem

Activity (Go SEA)

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

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