UCSF

ZINC02560718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 25 No

CAS Number: 138021-87-1

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) 3.40 -0.55 -52.4 1 5 -1 78 356.423 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0438233A2; EP0438233A3; EP0509354A2; EP0509354A3; EP0509354B1; EP0661292A1; US5393875; US5442044 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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