UCSF

ZINC39283180

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 2.46 8.22 -56.94 0 5 -1 79 286.307 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5510369; US5714485; US5981521; US6057338; US6117880; WO1999022735A1 IBM Patent Data

Activity (Go SEA)

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