UCSF

ZINC00087525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 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) -1.07 -4.34 -9.77 3 7 0 105 307.1 2
Hi High (pH 8-9.5) -0.61 -7.05 -46.21 2 7 -1 108 306.092 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0045944A1; EP0048022A2; EP0068763A2; EP0068763B2; EP0097373A2; EP0097373B1; EP0175286A2; EP0175286B1; EP0215942A1; EP0215942B1; EP0216860A1; EP0216860B1; EP0238672A1; EP0251534A1; EP0251534B1; EP0285057A2; EP0285058A2; EP0285950A2; EP0286898A2; EP028689 IBM Patent Data

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