UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2018949
2018949

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Popular Name: R 10.100 R 10.100

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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) 2.80 2.73 -7.47 0 4 0 44 270.332 4 ↓

Analogs

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Popular Name: (1S,2S)-1-imidazol-1-yltetralin-2-ol (1S,2S)-1-imidazol-1-yltetralin-…

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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) 1.44 6.75 -30.22 2 3 1 39 215.276 1 ↓
Mid Mid (pH 6-8) 1.44 6.02 -7.85 1 3 0 38 214.268 1 ↓

Parameters Provided:

ring.id = 211
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 = 211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=211&filter.purchasability=annotated

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