UCSF

ZINC34919791

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 No

Popular Name: (4E,5S)-5-(3,4-diethoxyphenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(4-pyridylmethyl)pyrrolidine (4E,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) 3.32 11.01 -59.07 0 8 -1 101 501.559 11 ↓
Lo Low (pH 4.5-6) 3.32 10.27 -16.55 1 8 0 98 502.567 11 ↓
Lo Low (pH 4.5-6) 3.32 10.72 -53.16 2 8 1 99 503.575 11 ↓

Activity (Go SEA)

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