UCSF

ZINC33505841

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 14 No

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) 2.50 6.46 -7.85 0 2 0 33 185.226 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0199646A2; EP0199646B1; EP0254422A1; EP0256849A1; EP0304521A1; EP0307519A1; EP0307519B1; EP0325963A1; EP0325963B1; EP0395734A1; EP0461353A1; EP0754177A1; US4536343; US4581176; US4590010; US4590012; US4590013; US4618683; US4699993; US4762943; US4764635 IBM Patent Data

Activity (Go SEA)

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