UCSF

ZINC23640484

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 17 Yes

Other Names:

MFCD04115521

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) 2.03 5.99 -6.73 2 3 0 52 229.279 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0805816A1; US6013658; WO1996022997A1 IBM Patent Data

Activity (Go SEA)

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