UCSF

ZINC55086098

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 1.46 4.64 -39.42 3 3 1 48 225.356 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5273983 IBM Patent Data

Activity (Go SEA)

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