UCSF

ZINC04213461

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 23 Yes

Popular Name: USAN) USAN)

Find On: PubMed — Wikipedia — Google

CAS Number: 852-42-6

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) 2.23 0.48 -36.03 1 5 1 41 324.441 11 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5795909; WO1997044063A2; WO1999030690A1; WO2000021515A2; WO2000048636A1 IBM Patent Data

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