UCSF

ZINC13548753

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 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) -2.60 -5.32 -165.57 4 11 -2 183 321.182 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0009657A1; EP0021337A2; EP0024866A2; EP0093401A1; EP0111211A1; EP0162239A1; EP0162239B1; EP0203381A1; EP0238672A1; EP0243797A2; EP0302807A2; EP0302807B1; EP0304013A2; EP0304013B1; EP0320807A2; EP0478319A1; EP0478319B1; EP0521941A1; EP0653438A2; EP065343 IBM Patent Data

Activity (Go SEA)

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