UCSF

ZINC02567586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) -1.68 -6.55 -19.08 4 8 0 125 262.193 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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Analogs ( Draw Identity 99% 90% 80% 70% )