UCSF

ZINC53424854

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

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

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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) 3.02 5.67 -36.43 2 3 1 29 269.453 7 ↓
Hi High (pH 8-9.5) 3.02 4.66 -2.57 1 3 0 24 268.445 7 ↓
Mid Mid (pH 6-8) 3.02 8.13 -111.71 3 3 2 30 270.461 7 ↓

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

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