UCSF

ZINC38749245

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 33 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) 2.95 9.73 -19.34 0 9 0 116 483.583 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5618844 IBM Patent Data

Activity (Go SEA)

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