UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017251
35017251

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Popular Name: S-phenethyl S-phenethyl

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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) 2.65 5.64 -10.66 3 4 0 61 322.455 6 ↓
Mid Mid (pH 6-8) 1.90 4.44 -39.4 2 4 -1 68 321.447 5 ↓

Analogs

35017249
35017249

Draw Identity 99% 90% 80% 70%

Popular Name: S-phenethyl S-phenethyl

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) 2.65 5.62 -10.61 3 4 0 61 322.455 6 ↓
Mid Mid (pH 6-8) 1.90 4.44 -39.39 2 4 -1 68 321.447 5 ↓

Analogs

35017434
35017434

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Popular Name: S-phenethyl S-phenethyl

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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) 3.58 8.99 -9.9 2 3 0 41 324.446 6 ↓
Mid Mid (pH 6-8) 2.83 7.83 -33.21 1 3 -1 47 323.438 5 ↓

Analogs

35017432
35017432

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Popular Name: S-phenethyl S-phenethyl

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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) 3.58 8.99 -9.9 2 3 0 41 324.446 6 ↓
Mid Mid (pH 6-8) 2.83 7.83 -33.22 1 3 -1 47 323.438 5 ↓

Parameters Provided:

ring.id = 14931
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 = 14931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14931&filter.purchasability=annotated

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