UCSF

ZINC53344307

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 Yes

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

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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) 3.11 8.07 -112.88 3 3 2 30 270.461 7 ↓
Mid Mid (pH 6-8) 3.11 6.06 -35.68 2 3 1 29 269.453 7 ↓
Mid Mid (pH 6-8) 3.11 7.11 -32.66 2 3 1 26 269.453 7 ↓

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

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