UCSF

ZINC39334878

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 18 Yes

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) -0.63 6.69 -40.54 1 5 0 65 246.266 2
Hi High (pH 8-9.5) -0.63 4.63 -48.36 0 5 -1 64 245.258 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4273773 IBM Patent Data

Activity (Go SEA)

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