UCSF

ZINC79682528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2012 20 Yes

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) -0.24 -3.02 -12.81 4 9 0 129 281.272 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0690716A1; EP0886641A2; EP0935466A1; US5801159; US5994069; US6090606; WO1994015619A1; WO1997026270A2; WO1997030713A1; WO2000003038A2 IBM Patent Data

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

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