UCSF

ZINC39223151

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 19 Yes

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) 2.80 4.78 -14.73 0 4 0 53 278.329 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996018644A1; WO1997046207A2 IBM Patent Data

Activity (Go SEA)

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