UCSF

ZINC33698691

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 No

Popular Name: (4E,5R)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-hydroxyphenyl)-1-(4-pyridylmethyl)pyrrolidin (4E,5R)-4-[(2,5-dimethylphenyl)-…

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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) 2.81 7.47 -42.29 1 6 -1 94 413.453 5 ↓
Lo Low (pH 4.5-6) 2.81 6.35 -19.71 2 6 0 91 414.461 5 ↓
Lo Low (pH 4.5-6) 2.81 6.79 -50.05 3 6 1 92 415.469 5 ↓

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