UCSF

ZINC53439978

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Popular Name: N'-benzyl-N-methyl-N-(o-tolylmethyl)ethane-1,2-diamine N'-benzyl-N-methyl-N-(o-tolylmet…

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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) 3.33 9.43 -36.71 2 2 1 16 269.412 7 ↓
Mid Mid (pH 6-8) 3.33 8.81 -42.65 2 2 1 20 269.412 7 ↓
Lo Low (pH 4.5-6) 3.33 10.79 -124.39 3 2 2 21 270.42 7 ↓

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