UCSF

ZINC39375807

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 6 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) 0.22 -0.6 -10.16 1 2 0 37 152.975 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0454067B1; US5336664; US5556829 IBM Patent Data

Activity (Go SEA)

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