UCSF

ZINC60220093

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 16 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) 1.45 6.42 -16.51 0 7 0 89 257.3 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6080772; WO1998027092A1 IBM Patent Data

Activity (Go SEA)

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