UCSF

ZINC60239227

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 10 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) -1.50 7.63 -26.98 0 1 1 0 144.282 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0307817A1; EP0352682A2; EP0352682B1; US5210187 IBM Patent Data

Activity (Go SEA)

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