UCSF

ZINC42607132

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 Yes

Popular Name: (1S)-1-(4-ethylphenyl)-N'-(2-methoxyethyl)-N'-[(1S)-2-methoxy-1-methyl-ethyl]ethane-1,2-diamine (1S)-1-(4-ethylphenyl)-N'-(2-met…

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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) 0.67 4.77 -40.49 3 4 1 49 295.447 10 ↓
Hi High (pH 8-9.5) 0.67 4.35 -2.77 2 4 0 48 294.439 10 ↓
Lo Low (pH 4.5-6) 0.67 6.67 -120.97 4 4 2 51 296.455 10 ↓

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