UCSF

ZINC21985086

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 36 Yes

CAS Number: 144-68-3

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) 8.27 15.91 -7.86 2 2 0 40 486.74 9

Vendor Notes

Note Type Comments Provided By
Purity 20.69% APIChem

Activity (Go SEA)

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

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