UCSF

ZINC04105348

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 12 Yes

Popular Name: methyl 2-bromo-5-methylnicotinate methyl 2-bromo-5-methylnicotinate

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CAS Numbers: 136227-39-9 , [136227-39-9]

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) 2.06 0.95 -7.81 0 3 0 39 230.061 2 ↓

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