UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11825714
11825714
11861284
11861284
11861285
11861285

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Popular Name: (2S)-2-phenyl-3-[4-(3-phenylpropoxy)phenyl]propanoic (2S)-2-phenyl-3-[4-(3-phenylprop…

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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) 5.81 2.15 -51.14 0 3 -1 49 359.445 9 ↓

Analogs

11861284
11861284
11861285
11861285
11825710
11825710

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Popular Name: (2R)-2-phenyl-3-[4-(3-phenylpropoxy)phenyl]propanoic (2R)-2-phenyl-3-[4-(3-phenylprop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.81 2.15 -50.9 0 3 -1 49 359.445 9 ↓

Analogs

11828788
11828788
11829280
11829280
11829284
11829284
11953252
11953252
11953254
11953254

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Popular Name: (2R)-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]-2-phenyl-propanoic (2R)-3-[3-methoxy-4-(3-phenylpro…

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Activity (Go SEA)

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) 5.40 2.36 -53.9 0 4 -1 59 389.471 10 ↓

Analogs

11829280
11829280
11829284
11829284
11953252
11953252
11953254
11953254
11994248
11994248

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]-2-phenyl-propanoic (2S)-3-[3-methoxy-4-(3-phenylpro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.40 2.63 -50.28 0 4 -1 59 389.471 10 ↓

Parameters Provided:

ring.id = 55321
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 55321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=55321&filter.purchasability=annotated

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