UCSF

ZINC53426220

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Popular Name: N-methyl-N-[(1S,3S)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1S,3S)-3-methylcycl…

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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) 2.06 5.88 -33.32 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.06 7.3 -111.84 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.06 4.89 -35.6 2 3 1 29 255.426 6 ↓

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Rings

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

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