UCSF

ZINC53344082

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'-methyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-cyclohexyl-N'-methyl-N-[(1S)-…

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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) 2.74 7.4 -110.32 3 3 2 30 256.434 6 ↓
Hi High (pH 8-9.5) 2.74 3.9 -2.4 1 3 0 24 254.418 6 ↓
Mid Mid (pH 6-8) 2.74 6.15 -33.37 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.74 5.14 -34.25 2 3 1 29 255.426 6 ↓

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

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