UCSF

ZINC31483909

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 13 Yes

Popular Name: Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride; LS-43242; N-(o-Bromobenzyl)-N-methyl-2-propynylamine hydrochloride; o-Bromo-N-methyl-N-2-propynylbenzylamine hydrochloride Benzylamine, o-bromo-N-methyl-N-…

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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) 2.66 5.86 -4.22 0 1 0 3 238.128 3 ↓
Mid Mid (pH 6-8) 2.66 8.33 -31.5 1 1 1 4 239.136 3 ↓

Activity (Go SEA)

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