UCSF

ZINC13550072

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (4E,5R)-5-(2,3-dimethoxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-morpholinopropyl)pyrrolidine-2,3-d (4E,5R)-5-(2,3-dimethoxyphenyl)-…

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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) 2.34 6.89 -63.11 0 8 -1 91 465.526 9 ↓
Mid Mid (pH 6-8) 2.79 8.64 -49.11 2 8 1 90 467.542 8 ↓
Mid Mid (pH 6-8) 2.34 9.22 -77.54 1 8 0 93 466.534 9 ↓

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