UCSF

ZINC37276670

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

Popular Name: (1S)-1-(2-bromophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (1S)-1-(2-bromophenyl)-N-[(2-met…

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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) 4.04 10.39 -46.8 2 3 1 34 345.264 4 ↓
Mid Mid (pH 6-8) 4.04 9.86 -27.07 2 3 1 31 345.264 4 ↓
Mid Mid (pH 6-8) 4.04 10.83 -99.45 3 3 2 35 346.272 4 ↓
Mid Mid (pH 6-8) 4.04 9.41 -9.22 1 3 0 29 344.256 4 ↓

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Rings

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

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