UCSF

ZINC60119422

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.26 5.06 -8.39 1 6 0 77 321.373 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0964866A1; US6107254; WO1998030565A1 IBM Patent Data

Activity (Go SEA)

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

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