UCSF

ZINC00404666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 10 Yes

CAS Number: 13404-22-3

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) 0.57 2.33 -41.26 3 3 1 54 146.21 3

Vendor Notes

Note Type Comments Provided By
Purity 99% min APIChem

Activity (Go SEA)

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