UCSF

ZINC56871202

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 43 No

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) 4.96 13.96 -133.11 3 10 -2 167 592.737 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0225965A2; EP0225965B1; EP0872903A1; US4757124; US4758639; US4824563; US5543309; US6096144; WO1995000843A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.