UCSF

ZINC57362406

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 13 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) 1.55 3.9 -37.47 3 2 1 29 179.287 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0354495A1; EP0427765A1; EP0427765B1; US5185352; US5322844 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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