UCSF

ZINC33756871

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 No

Popular Name: (4E,5S)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-fluorophenyl)pyrrolidine (4E,5S)-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) 4.79 13.32 -51.35 1 6 0 74 468.569 12 ↓
Hi High (pH 8-9.5) 4.79 11.03 -39.88 0 6 -1 73 467.561 12 ↓
Lo Low (pH 4.5-6) 4.79 12.18 -50.35 2 6 1 71 469.577 12 ↓

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