UCSF

ZINC01846400

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 26 Yes

Popular Name: MI) MI)

Find On: PubMed — Wikipedia — Google

CAS Number: 42597-57-9

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) 3.83 2.78 -11.1 0 6 0 74 377.824 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0749751A2; EP0749751A3; EP0861666A3; EP1021204A2; EP1022272A1; US5446070; US5656286; US5719197; US5952356; US5965584; US6024976; US6080765; US6103742; US6121294; US6121295; US6133293; US6133295; US6150383; US6150384; US6156773; US6166042; US6166043; WO1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.