UCSF

ZINC03977838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 31 No

CAS Numbers: 3385-03-3 , 77326-96-6, 3385-03-3

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) 2.59 4.42 -16.28 2 6 0 93 434.504 2

Vendor Notes

Note Type Comments Provided By
Therapy antiinflammatory SMDC Pharmakon

Activity (Go SEA)

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