UCSF

ZINC01081099

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 11 Yes

CAS Numbers: 1632-73-1 , 2217-02-9 , 512-13-0

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) 2.35 3.78 -1.6 1 1 0 20 154.253 0

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.352 Bitter DB
PUBCHEM_PATENT_ID EP0046072A2; EP0047154A2; EP0048545A2; EP0155973A1; EP0199782A1; EP0217810A1; EP0232327A1; EP0289548A1; EP0289548B1; EP0305807A2; EP0305807B1; EP0318511A1; EP0318511B1; EP0334477A2; EP0391649A2; EP0391649B1; EP0391651A2; EP0391651B1; EP0423127A1; EP053521 IBM Patent Data
PUBCHEM_PATENT_ID EP0302424B1 IBM Patent Data
UniProt Database Links FES_OCIBA ChEBI

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