UCSF

ZINC04293954

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 20 Yes

Popular Name: N-Adamantan-1-yl-2-chloro-nicotinamide N-Adamantan-1-yl-2-chloro-nicoti…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 445017-10-7 , [445017-10-7]

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) 3.79 6.61 -11.72 1 3 0 42 290.794 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5153212 IBM Patent Data

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