UCSF

ZINC38497669

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 29 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) 2.52 13.64 -13.7 0 5 0 61 404.853 5
Lo Low (pH 4.5-6) 2.52 14.1 -50.62 1 5 1 62 405.861 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4959363 IBM Patent Data

Activity (Go SEA)

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