UCSF

ZINC48947708

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

Popular Name: (1S)-1-(2,4-dimethylphenyl)-N'-methyl-N'-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1S)-1-(2,4-dimethylphenyl)-N'-m…

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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) 1.16 5.65 -37.27 3 3 1 40 277.432 5 ↓
Hi High (pH 8-9.5) 1.16 5.32 -2.78 2 3 0 38 276.424 5 ↓
Mid Mid (pH 6-8) 1.16 7.75 -123.96 4 3 2 41 278.44 5 ↓

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

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