UCSF

ZINC21989206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 Yes

CAS Number: 122852-69-1

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) 0.78 5.41 -35.66 2 5 1 50 285.371 2

Vendor Notes

Note Type Comments Provided By
Purity 98-101% APIChem

Activity (Go SEA)

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

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