UCSF

ZINC23361245

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 Yes

Popular Name: (2S)-1-(cyclohexyl-methyl-amino)-3-[4-[(2-dimethylaminoethyl-methyl-amino)methyl]-2-methoxy-phenoxy] (2S)-1-(cyclohexyl-methyl-amino)…

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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) 2.71 8.43 -87.72 3 6 2 51 409.615 12 ↓
Mid Mid (pH 6-8) 2.71 8.6 -82.02 3 6 2 51 409.615 12 ↓
Lo Low (pH 4.5-6) 2.71 10.92 -170.86 4 6 3 52 410.623 12 ↓

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