UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-[2-[(4-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-1,7-dia 7-[2-[(4-chlorophenyl)sulfanylme…

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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) 5.21 11.56 -12.48 1 5 0 58 485.078 4 ↓

Analogs

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Popular Name: 7-(4-methoxy-1-phenyl-pyrazole-3-carbonyl)-1,7-diazaspiro[3.5]nonan-2-one 7-(4-methoxy-1-phenyl-pyrazole-3…

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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) 1.02 4.48 -17.17 1 7 0 76 340.383 3 ↓

Analogs

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Popular Name: 7-[(2,4-dichlorophenyl)methyl]-1,7-diazaspiro[3.5]nonan-2-one 7-[(2,4-dichlorophenyl)methyl]-1…

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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) 2.72 6.1 -47.88 2 3 1 34 300.209 2 ↓
Hi High (pH 8-9.5) 2.72 3.88 -7.76 1 3 0 32 299.201 2 ↓

Analogs

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Popular Name: 7-[2-[(E)-styryl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-1,7-diazaspiro[3.5]nonan-2- 7-[2-[(E)-styryl]-5,6,7,8-tetrah…

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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) 4.88 11.38 -12.73 1 5 0 58 430.577 3 ↓

Parameters Provided:

ring.id = 138284
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 = 138284 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=138284&filter.purchasability=annotated

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