UCSF

ZINC13209484

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 26 Yes

Popular Name: INN) INN)

Find On: PubMed — Wikipedia — Google

CAS Numbers: 58166-83-9 , [3039-97-2]

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) 0.99 7.13 -55.38 3 8 1 99 358.422 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0390612A1; US6025360 IBM Patent Data

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