UCSF

ZINC53345661

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-methyl-N'-[(1S,3S)-3-methylcyclohexyl]-N-(p-tolylmethyl)ethane-1,2-diamine N-methyl-N'-[(1S,3S)-3-methylcyc…

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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) 3.89 10.56 -120.63 3 2 2 21 276.468 6 ↓
Mid Mid (pH 6-8) 3.89 8.23 -38.94 2 2 1 20 275.46 6 ↓

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

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