UCSF

ZINC13550087

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-5-(2-ethoxyphenyl)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methyl (4E,5S)-1-(3-dimethylaminopropyl…

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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) 4.24 11.87 -78.3 1 7 0 83 480.605 11 ↓
Mid Mid (pH 6-8) 4.68 12.16 -54.78 2 7 1 81 481.613 10 ↓
Mid Mid (pH 6-8) 3.65 14.37 -44.09 1 7 1 77 481.613 11 ↓

Activity (Go SEA)

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