UCSF

ZINC43465898

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 1.20 1.16 -8.77 2 5 0 57 240.332 2
Mid Mid (pH 6-8) 1.20 3.89 -47.76 3 5 1 58 241.34 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4289524 IBM Patent Data

Activity (Go SEA)

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