UCSF

ZINC21984653

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

CAS Numbers: 22494-42-4 , 887576-75-2

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) 3.90 5.81 -48.68 1 3 -1 60 249.192 2

Vendor Notes

Note Type Comments Provided By
Purity USP24,25 BP2000 APIChem

Activity (Go SEA)

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

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