UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,4S)-N-(3,5-dichloro-2-pyridyl)-3,3-dimethyl-2-methylene-norbornane-1-carboxamide (1S,4S)-N-(3,5-dichloro-2-pyridy…

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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) 4.39 1.48 -6.84 1 3 0 41 325.239 2 ↓

Analogs

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Popular Name: (1R,4R)-N-(3,5-dichloro-2-pyridyl)-3,3-dimethyl-2-methylene-norbornane-1-carboxamide (1R,4R)-N-(3,5-dichloro-2-pyridy…

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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) 4.39 1.49 -6.86 1 3 0 41 325.239 2 ↓

Analogs

3897155
3897155
4044707
4044707
6846761
6846761
21894288
21894288
21894291
21894291

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Popular Name: (1S,4S)-3,3-dimethyl-2-methylene-N-(6-methyl-2-pyridyl)norbornane-1-carboxamide (1S,4S)-3,3-dimethyl-2-methylene…

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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) 2.99 8.93 -11.69 1 3 0 42 270.376 2 ↓
Lo Low (pH 4.5-6) 2.99 8.71 -26.21 2 3 1 43 271.384 2 ↓

Parameters Provided:

ring.id = 220822
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 = 220822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=220822&filter.purchasability=annotated

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