UCSF

ZINC53426334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

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

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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) 3.44 7.92 -39.7 2 2 1 20 261.433 6 ↓
Mid Mid (pH 6-8) 3.44 10.19 -120.05 3 2 2 21 262.441 6 ↓
Mid Mid (pH 6-8) 3.44 8.83 -34.58 2 2 1 16 261.433 6 ↓

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

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