UCSF

ZINC19872142

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 Yes

Popular Name: N-(5-bromo-2-methoxybenzyl)-N-[2-(dimethylamino)ethyl]amine N-(5-bromo-2-methoxybenzyl)-N-[2…

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Other Names:

MFCD07364958

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) 2.32 4.05 -37.22 2 3 1 29 288.209 6 ↓
Hi High (pH 8-9.5) 2.32 2.66 -3.21 1 3 0 24 287.201 6 ↓
Mid Mid (pH 6-8) 2.32 5.21 -35.27 2 3 1 26 288.209 6 ↓

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