UCSF

ZINC32151109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 10 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) 2.86 5.77 -4.49 0 2 0 26 144.214 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4112225; US4187381; US4190587; US4211724; US4237276; US4256911 IBM Patent Data

Activity (Go SEA)

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