UCSF

ZINC03918161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 28 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) 4.25 -2.33 -49.63 2 4 -1 80 391.572 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 201-204? Alfa-Aesar
Melting_Point 201-204° Alfa-Aesar
PUBCHEM_PATENT_ID WO1999058549A1 IBM Patent Data

Activity (Go SEA)

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