UCSF

ZINC69051740

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 Yes

Popular Name: (2S)-2-(azepan-1-yl)-6-bromo-tetralin-2-carboxylic (2S)-2-(azepan-1-yl)-6-bromo-tet…

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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) 2.18 11.15 -25.78 1 3 0 45 352.272 2 ↓

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Rings

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

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