UCSF

ZINC23253598

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 15 Yes

Popular Name: 1-[(4-bromophenyl)methyl]-4-methylpiperazine 1-[(4-bromophenyl)methyl]-4-meth…

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CAS Numbers: 368879-17-8 , [368879-17-8]

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) 2.44 6.45 -35.49 1 2 1 8 270.194 2 ↓
Mid Mid (pH 6-8) 2.44 6.32 -38.15 1 2 1 8 270.194 2 ↓
Mid Mid (pH 6-8) 2.44 4.07 -2.45 0 2 0 6 269.186 2 ↓

Activity (Go SEA)

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