UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4,5-dihydrothieno[2,3-c]acridine-6-carboxylic 4,5-dihydrothieno[2,3-c]acridine…

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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) 3.61 9.09 -56.69 0 3 -1 53 280.328 1 ↓
Lo Low (pH 4.5-6) 3.61 9.48 -42.94 1 3 0 54 281.336 1 ↓

Analogs

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Popular Name: 8-methyl-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic 8-methyl-4,5-dihydrothieno[2,3-c…

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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) 4.04 9.74 -57.88 0 3 -1 53 294.355 1 ↓
Lo Low (pH 4.5-6) 4.04 10.13 -43.46 1 3 0 54 295.363 1 ↓

Analogs

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Popular Name: 9-fluoro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic 9-fluoro-4,5-dihydrothieno[2,3-c…

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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) 3.75 9.16 -49.43 0 3 -1 53 298.318 1 ↓
Lo Low (pH 4.5-6) 3.75 9.55 -37.31 1 3 0 54 299.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-fluoro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic 8-fluoro-4,5-dihydrothieno[2,3-c…

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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) 2.78 9.16 -54.67 0 3 -1 53 298.318 1 ↓

Analogs

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Popular Name: 10-methyl-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic 10-methyl-4,5-dihydrothieno[2,3-…

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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) 4.01 9.92 -57.49 0 3 -1 53 294.355 1 ↓
Mid Mid (pH 6-8) 4.01 10.24 -40.97 1 3 0 54 295.363 1 ↓

Parameters Provided:

ring.id = 210595
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 = 210595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=210595&filter.purchasability=annotated

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