UCSF

ZINC03872682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 30 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) 5.25 14.01 -11.02 0 4 0 60 414.586 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0253901A1; EP0253901B1; EP0337938A2; EP0665009A1; EP0665009B1; EP0712412B1; EP0737066A1; EP0768896A2; EP0768896B1; EP0791356A1; EP0792645A1; EP0801561A2; EP0911321A2; EP0941077A1; EP0946501A1; EP1021204A2; EP1021410A1; EP1023055A1; US4244949; US4310523 IBM Patent Data

Activity (Go SEA)

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