UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38595323
38595323
39937005
39937005
39937006
39937006

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Popular Name: Sildenafil Sildenafil

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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) 1.07 3.5 -15.16 0 10 0 107 474.587 7 ↓
Mid Mid (pH 6-8) 1.07 5.86 -54.79 1 10 1 108 475.595 7 ↓

Analogs

39937005
39937005
39937006
39937006
38595321
38595321

Draw Identity 99% 90% 80% 70%

Popular Name: Sildenafil Sildenafil

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) 1.07 3.57 -15.14 0 10 0 107 474.587 7 ↓
Mid Mid (pH 6-8) 1.07 5.91 -53.5 1 10 1 108 475.595 7 ↓

Parameters Provided:

ring.id = 100940
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 = 100940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=100940&filter.purchasability=annotated

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