UCSF
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Analogs

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Popular Name: 3-bromo-2-(4-chloro-2-fluoro-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole 3-bromo-2-(4-chloro-2-fluoro-phe…

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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) 5.26 9.58 -6.21 0 2 0 18 343.627 1 ↓

Analogs

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Popular Name: 3-[3-[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethylamino)methyl]indol-1-yl]propanamide 3-[3-[(1,4,5,6,7,8-hexahydrocycl…

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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) 2.42 6.99 -57.04 5 6 1 93 366.489 7 ↓

Analogs

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Popular Name: N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-1-(1-pyrimidin-2-ylpyrrol-2-yl)met N-(1,4,5,6,7,8-hexahydrocyclohep…

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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) 2.54 12.31 -41.92 2 6 1 64 337.451 5 ↓

Analogs

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Popular Name: N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-yl-me N-(1,4,5,6,7,8-hexahydrocyclohep…

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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) 2.00 8.19 -43.43 2 6 1 63 311.413 4 ↓
Hi High (pH 8-9.5) 2.00 5.98 -12.67 1 6 0 62 310.405 4 ↓

Parameters Provided:

ring.id = 196041
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 = 196041 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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