UCSF

ZINC34623300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 40 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) 8.73 20.95 -11.75 0 5 0 47 537.748 10
Mid Mid (pH 6-8) 8.73 21.21 -29.34 1 5 1 49 538.756 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5385925 IBM Patent Data

Activity (Go SEA)

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