UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12039041
12039041
12039826
12039826
12190492
12190492
14993044
14993044
14999915
14999915

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Popular Name: 4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-N,N-diethyl-5-methyl-thieno[4,5-e]pyrimidine 4-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.98 -0.86 -8.56 1 5 0 58 370.522 6 ↓

Analogs

12039826
12039826
12190492
12190492
14993044
14993044
12037863
12037863

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Popular Name: 4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-N-isobutyl-N,5-dimethyl-thieno[4,5-e]pyrimid 4-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 4.35 -1.02 -8.26 1 5 0 58 384.549 6 ↓

Analogs

12190492
12190492
12333949
12333949
14883717
14883717
14993044
14993044
12037863
12037863

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Popular Name: 4-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]-N-butyl-N,5-dimethyl-thieno[4,5-e]pyrimidine 4-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 4.66 -1.15 -8.4 1 5 0 58 384.549 7 ↓

Parameters Provided:

ring.id = 2889
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 = 2889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2889&filter.purchasability=annotated

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