UCSF

ZINC21992695

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

CAS Number: 54340-58-8

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) 3.32 6 -40.93 2 2 1 25 234.363 2

Vendor Notes

Note Type Comments Provided By
Purity BP2003 APIChem

Activity (Go SEA)

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