UCSF

ZINC18009872

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-5-phenyl-pyrrolidine-2,3-di (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) 3.61 11.67 -79.66 1 6 0 74 422.525 10 ↓
Mid Mid (pH 6-8) 3.03 11.57 -44.95 1 6 1 68 423.533 10 ↓
Mid Mid (pH 6-8) 3.61 11.26 -43.2 2 6 1 71 423.533 10 ↓

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