UCSF

ZINC04097818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 26 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) 0.79 -6.88 -10.22 4 6 0 107 358.39 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0548884A1; EP0561296A1; US5428181 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.