UCSF

ZINC59844618

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 20 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) 4.09 8.74 -6.76 0 3 0 39 271.36 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4106940 IBM Patent Data

Activity (Go SEA)

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