UCSF

ZINC53499996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 20 Yes

Popular Name: N-[(2-chlorophenyl)methyl]-N'-cyclohexyl-N-methyl-propane-1,3-diamine N-[(2-chlorophenyl)methyl]-N'-cy…

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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) 4.33 8.56 -37.52 2 2 1 20 295.878 7 ↓
Lo Low (pH 4.5-6) 4.33 10.81 -103.3 3 2 2 21 296.886 7 ↓

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

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