UCSF

ZINC53432306

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 21 Yes

Popular Name: N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-[(4-methoxyphenyl)methyl]-N'-…

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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) 2.29 6.01 -39.18 2 4 1 35 293.431 8 ↓
Mid Mid (pH 6-8) 2.29 4.91 -38.47 2 4 1 38 293.431 8 ↓
Lo Low (pH 4.5-6) 2.29 7.25 -118.49 3 4 2 40 294.439 8 ↓

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

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