UCSF

ZINC66182833

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 Yes

Popular Name: 1,2-ethanediamine, N-methyl-N'-[[4-(1-methylethoxy)phenyl]methyl]-N-(phenylmethyl)- 1,2-ethanediamine, N-methyl-N'-[…

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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) 3.72 8.66 -44.61 2 3 1 29 313.465 9 ↓
Lo Low (pH 4.5-6) 3.72 10.98 -127.02 3 3 2 30 314.473 9 ↓

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

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