UCSF

ZINC65527755

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: [2-(methylamino)-3-pyridyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone [2-(methylamino)-3-pyridyl]-[(4R…

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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) 2.59 9.2 -9.5 1 5 0 54 349.434 2 ↓
Lo Low (pH 4.5-6) 2.59 9.57 -37.05 2 5 1 56 350.442 2 ↓

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

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