UCSF

ZINC39254174

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 22 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) 2.23 8.96 -12.17 0 4 0 43 308.772 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4021441; US4250094 IBM Patent Data

Activity (Go SEA)

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