UCSF

ZINC53342497

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Substance Information

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

Popular Name: N'-cyclohexyl-N-[(2-methoxyphenyl)methyl]-N-methyl-ethane-1,2-diamine N'-cyclohexyl-N-[(2-methoxypheny…

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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 9.11 -114.87 3 3 2 30 278.44 7 ↓
Hi High (pH 8-9.5) 3.44 7.93 -32.33 2 3 1 26 277.432 7 ↓
Mid Mid (pH 6-8) 3.44 6.76 -38.1 2 3 1 29 277.432 7 ↓

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

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