UCSF

ZINC03871127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 18 Yes

CAS Numbers: 116986-15-3 , 131-06-6 , 316-46-1

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) -1.68 -8.74 -16.75 4 8 0 124 262.193 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0180188A2; EP0180188B1; EP0203107B1; EP0257361A2; EP0262876A2; EP0262876B1; EP0350287B1; EP0400610A1; EP0457570A1; EP0475160B1; EP0595133A2; EP0653439A2; EP0653439A3; EP0741740A1; EP0741740B1; EP0746336A1; EP0763049A1; EP0795334A2; EP0795334A3; EP081779 IBM Patent Data

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