UCSF

ZINC39347479

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 16 Yes

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) 3.55 7.52 -6.41 0 2 0 18 214.264 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5175167; US5932730; US5969134; US6030975 IBM Patent Data
PUBCHEM_PATENT_ID WO1999024404A1 IBM Patent Data

Activity (Go SEA)

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