UCSF

ZINC44227251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 3.00 10.05 -63.09 0 3 -1 57 249.245 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0536208A1; EP0536208B1; EP0660824A1; US5635506; WO1992000281A1; WO1994006771A1 IBM Patent Data

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