UCSF

ZINC53438977

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-methyl-N-[(1R,2R)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1R,2R)-2-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) 2.30 5.93 -32.26 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 5.51 -35.54 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 7.36 -111.32 3 3 2 30 256.434 6 ↓

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

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