UCSF

ZINC03947466

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 25 No

CAS Numbers: 5508-58-7 , [5508-58-7]

Other Names:

MFCD00017610

MFCD07778082

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) 1.05 -3.14 -11.83 3 5 0 86 350.455 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0890360A1; EP0912535A1; EP0914116A1; EP0914116B1; EP1054998A1; US5795909; US5833994; US5883074; US5919815; US6013646; US6080877; US6136316; US6140063; WO1996017605A1; WO1996024684A1; WO1997035985A1; WO1997044063A2; WO1997044336A1; WO1998030213A2; WO1999 IBM Patent Data

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