UCSF

ZINC09301904

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 34 No

Popular Name: 5-(3-allyloxyphenyl)-1-(3-dimethylaminopropyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-pyrrolidine-2, 5-(3-allyloxyphenyl)-1-(3-dimeth…

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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) 3.79 11.8 -76.5 1 7 0 83 464.562 12 ↓
Mid Mid (pH 6-8) 3.21 1.58 -47.33 1 7 1 77 465.57 12 ↓
Mid Mid (pH 6-8) 4.23 11.96 -47.45 2 7 1 81 465.57 11 ↓

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