UCSF

ZINC59727939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 40 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) 5.41 4.69 -22.07 5 10 0 171 538.464 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0833631A1; EP1007528A2; US5773462; US5948918; WO1997000679A1; WO1998046238A1; WO1999010292A2; WO1999020291A2; WO1999049835A1; WO1999049895A2 IBM Patent Data

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

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