UCSF

ZINC34930236

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 No

Popular Name: (4E,5R)-4-[hydroxy-(4-propoxyphenyl)methylene]-5-(3-propoxyphenyl)-1-(4-pyridylmethyl)pyrrolidine-2, (4E,5R)-4-[hydroxy-(4-propoxyphe…

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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) 4.33 10.97 -57.22 0 7 -1 92 485.56 11 ↓
Lo Low (pH 4.5-6) 4.33 10.22 -13.64 1 7 0 89 486.568 11 ↓
Lo Low (pH 4.5-6) 4.33 10.69 -42.81 2 7 1 90 487.576 11 ↓

Activity (Go SEA)

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