UCSF

ZINC05501781

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 11 No

CAS Number: 13189-98-5

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) -2.87 -5.37 -38.23 4 4 0 87 179.241 6

Vendor Notes

Note Type Comments Provided By
Purity 99.0%-102.0% APIChem

Activity (Go SEA)

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