UCSF

ZINC42409244

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 Yes

Popular Name: N-cyclohexyl-N-ethyl-N'-methyl-propane-1,3-diamine N-cyclohexyl-N-ethyl-N'-methyl-p…

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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) 2.68 6.91 -98.64 3 2 2 21 200.37 6 ↓
Hi High (pH 8-9.5) 2.68 4.89 -36.66 2 2 1 20 199.362 6 ↓
Hi High (pH 8-9.5) 2.68 5.47 -31.03 2 2 1 16 199.362 6 ↓

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