UCSF

ZINC04290077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 12 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) 2.91 1.5 -6.16 0 1 0 17 160.216 1

Vendor Notes

Note Type Comments Provided By
BP 75°/0.19mm Oakwood Chemical
PUBCHEM_PATENT_ID EP0740668A1; EP0740668B1; US6025494; US6127542; US6143746 IBM Patent Data
PUBCHEM_PATENT_ID US4929741 IBM Patent Data

Activity (Go SEA)

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