UCSF

ZINC34940903

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Popular Name: (4E,5R)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(3-nitrophenyl)pyrrolidine-2, (4E,5R)-4-[(3-ethoxyphenyl)-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) 2.60 7.45 -56.43 0 10 -1 128 480.497 9 ↓
Mid Mid (pH 6-8) 2.60 9.72 -71.96 1 10 0 129 481.505 9 ↓
Lo Low (pH 4.5-6) 2.60 8.98 -59.77 2 10 1 126 482.513 9 ↓

Activity (Go SEA)

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