UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38735115
38735115
14709118
14709118

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Popular Name: Silyhermin Silyhermin

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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) 2.18 -1.36 -16.73 5 9 0 146 466.442 4 ↓
Hi High (pH 8-9.5) 2.18 -0.37 -57.68 4 9 -1 149 465.434 4 ↓

Analogs

38735110
38735110

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Popular Name: Silyhermin Silyhermin

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) 2.18 -1.38 -17.29 5 9 0 146 466.442 4 ↓
Hi High (pH 8-9.5) 2.18 -0.38 -59.34 4 9 -1 149 465.434 4 ↓

Parameters Provided:

ring.id = 599417
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 = 599417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=599417&filter.purchasability=annotated

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