UCSF

ZINC28568062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 20 No

CAS Numbers: 80154-34-3 , [80154-34-3]

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) -0.54 -4.82 -19.66 4 7 0 116 284.264 4

Vendor Notes

Note Type Comments Provided By
MP 190 TCI
Purity 98% Fluorochem

Activity (Go SEA)

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

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