UCSF

ZINC17180459

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 36 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-5-(3,4,5-trimetho (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) 2.74 9.81 -62.06 1 9 0 102 498.576 11 ↓
Mid Mid (pH 6-8) 2.74 9.27 -49.14 2 9 1 99 499.584 11 ↓
Mid Mid (pH 6-8) 2.16 9.56 -51.26 1 9 1 96 499.584 11 ↓

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