UCSF

ZINC00002064

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: MI) MI)

Find On: PubMed — Wikipedia — Google

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) 4.17 1.92 -32.85 2 4 1 42 313.421 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1021204A2; US5446070; US5656286; US5719197; US6024976; WO1995016465A1; WO1996040086A2; WO1999015210A2; WO2000048636A1 IBM Patent Data

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

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