UCSF

ZINC02034399

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 6 Yes

CAS Numbers: 616-43-3 , [616-43-3]

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) 1.23 3.06 -3.54 1 1 0 16 81.118 0

Vendor Notes

Note Type Comments Provided By
BP 144 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0067698A2; EP0108488A1; EP0111994A1; EP0316704A2; EP0316704B1; EP0391414A2; EP0400440A1; EP0562833A1; EP0562833B1; EP0592490A1; EP0592490B1; EP0696285A1; EP0741145B1; EP0745591A1; EP0745591B1; EP0763020A1; EP0774456A1; EP0774456B1; EP0825989A1; EP089278 IBM Patent Data

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