UCSF

ZINC40893346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 11 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) 1.73 6.11 -43.8 0 2 -1 40 175.635 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0029515A1; EP0050859A1; EP0638537B1; EP0643037B1; EP0688758A1; US3976663; US4053629; US4318922; US4370345; US4375476; US4463014; US5420356; US5550258; US5653990; US5672779; US5817880 IBM Patent Data

Activity (Go SEA)

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