UCSF

ZINC31291689

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 27 No

Popular Name: INN INN

Find On: PubMed — Wikipedia — Google

CAS Number: 14376-16-0

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) 0.05 -2.45 -128.84 3 10 -2 171 391.361 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0786999A1; EP0792371A1; EP0831845A1; EP0831869A1; EP0852494A2; EP0885199A1; EP0888141A1; EP0911039A2; EP1021204A2; US5446070; US5543417; US5646151; US5656286; US5667773; US5668134; US5688955; US5719197; US5744458; US5763445; US5798093; US5811078; US5849 IBM Patent Data

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

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