UCSF

ZINC39368495

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 12 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) 3.25 5.67 -3.07 0 2 0 18 174.284 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0644175A1; EP0644175B1; EP1059279A1; US5399631; US5523491; US5589597; US5616812 IBM Patent Data

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