UCSF

ZINC34508930

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) 3.39 7.51 -9.54 1 4 0 55 264.712 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0783502A1; US5888941; WO1997005131A1 IBM Patent Data

Activity (Go SEA)

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