UCSF

ZINC01596157

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 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) 4.14 1.77 -4.87 0 1 0 9 198.265 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0457803A1; US5124342 IBM Patent Data
PUBCHEM_PATENT_ID US6048863 IBM Patent Data

Activity (Go SEA)

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