UCSF

ZINC53344288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 Yes

Popular Name: N-cyclohexyl-N-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-cyclohexyl-N-ethyl-N'-[[(2S)-t…

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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) 2.43 5.92 -31.64 2 3 1 26 255.426 7 ↓
Hi High (pH 8-9.5) 2.43 3.89 -2.54 1 3 0 24 254.418 7 ↓
Mid Mid (pH 6-8) 2.43 7.35 -110.8 3 3 2 30 256.434 7 ↓
Mid Mid (pH 6-8) 2.43 5.32 -36.21 2 3 1 29 255.426 7 ↓

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Rings

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

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