UCSF

ZINC03872088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 10 No

CAS Numbers: 1195-16-0 , 674786-06-2

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) -0.74 1.45 -10.56 1 3 0 46 159.21 1

Vendor Notes

Note Type Comments Provided By
Therapy hepatoprotectant SMDC MicroSource

Activity (Go SEA)

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

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