UCSF

ZINC33760331

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 No

Popular Name: (4Z,5S)-5-(3,4-diethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylene]-1-(4-pyridylmethyl)pyrrolidine (4Z,5S)-5-(3,4-diethoxyphenyl)-4…

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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) 2.94 10.7 -55.75 0 8 -1 101 487.532 10 ↓
Lo Low (pH 4.5-6) 2.94 9.42 -21.69 1 8 0 98 488.54 10 ↓
Lo Low (pH 4.5-6) 2.94 9.85 -60.37 2 8 1 99 489.548 10 ↓

Activity (Go SEA)

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