UCSF

ZINC53374835

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-benzyl-N-ethyl-N'-[(1S,3S)-3-methylcyclohexyl]ethane-1,2-diamine N-benzyl-N-ethyl-N'-[(1S,3S)-3-m…

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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) 3.81 10.59 -115.72 3 2 2 21 276.468 7 ↓
Mid Mid (pH 6-8) 3.81 8.45 -37.54 2 2 1 20 275.46 7 ↓

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

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