UCSF

ZINC00896452

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 34 Yes

Popular Name: WIN-32784 WIN-32784

Find On: PubMed — Wikipedia — Google

CAS Numbers: 30392-40-6 , 30392-41-7

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) 6.26 2.37 -48.02 3 6 1 89 462.566 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.80e-04 g/l DrugBank-withdrawn
PUBCHEM_PATENT_ID EP0043807A2; EP0046144A1; EP0190449A1; EP0190926A2; EP0190926B1; EP0248150A1; EP0248150B1; EP0321918A2; EP0321918B2; EP0341559A2; EP0351897A2; EP0390762A1; EP0390762B1; EP0455463A1; EP0455463B1; EP0470154A1; EP0470154B1; EP0472598A1; EP0472598B1; EP050411 IBM Patent Data

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