UCSF

ZINC35296676

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 32 No

Popular Name: (4E,5R)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(2-fluorophenyl)pyrrolidin (4E,5R)-4-[(3-butoxyphenyl)-hydr…

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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) 3.99 11.75 -73.39 1 6 0 74 440.515 10 ↓
Lo Low (pH 4.5-6) 3.99 11 -52.18 2 6 1 71 441.523 10 ↓

Activity (Go SEA)

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