UCSF

ZINC00093670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 4.10 0.73 -8.98 1 2 0 29 246.137 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0020052A1; EP0066217A1; EP0066989A2; EP0068822A2; EP0072649A2; EP0213892A2; EP0213892B1; EP0415641A1; EP0415641B1; EP0415642A1; EP0415642B1; EP0511826A2; EP0511826B1; EP0579424A1; EP0579424B1; EP0579425A1; EP0579425B1; EP0663396A1; EP0696588A1; EP069939 IBM Patent Data

Activity (Go SEA)

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