UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017157
35017157

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Popular Name: 3-phenylprop-2-ynyl 3-phenylprop-2-ynyl

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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) 2.13 6.23 -12.04 3 5 0 71 316.382 4 ↓
Mid Mid (pH 6-8) 1.38 5.15 -36.15 2 5 -1 77 315.374 3 ↓

Analogs

35017155
35017155

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenylprop-2-ynyl 3-phenylprop-2-ynyl

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) 2.13 6.23 -11.97 3 5 0 71 316.382 4 ↓
Mid Mid (pH 6-8) 1.38 5.14 -36.24 2 5 -1 77 315.374 3 ↓

Parameters Provided:

ring.id = 14906
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 = 14906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14906&filter.purchasability=annotated

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