UCSF

ZINC39375511

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 12 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) 0.71 2.79 -5.98 1 2 0 37 166.22 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3965124; US3976701; US3998847; US4001302; US4008253; US4017545; US4051188; US4072716; US4202991 IBM Patent Data

Activity (Go SEA)

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