UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12580094
12580094

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Popular Name: N'-(9-anthrylmethylene)-2-(2-bromo-4-tert-butylphenoxy)acetohydrazide N'-(9-anthrylmethylene)-2-(2-bro…

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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) 7.81 0.8 -20.27 1 4 0 51 489.413 6 ↓

Analogs

1434080
1434080

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Popular Name: N-(9-anthrylmethyleneamino)-2-(4-methyl-2-nitro-phenoxy)-acetamide N-(9-anthrylmethyleneamino)-2-(4…

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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) 5.70 2.16 -25.39 1 7 0 96 413.433 6 ↓

Analogs

15938816
15938816
12577630
12577630
12577634
12577634

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Popular Name: (2R)-N-(9-anthrylmethyleneamino)-2-(2,4-dichlorophenoxy)propanamide (2R)-N-(9-anthrylmethyleneamino)…

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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) 7.01 13.75 -15.45 1 4 0 51 437.326 5 ↓

Analogs

15938814
15938814

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Popular Name: (2S)-N-(9-anthrylmethyleneamino)-2-(2,4-dichlorophenoxy)propanamide (2S)-N-(9-anthrylmethyleneamino)…

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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) 7.01 13.82 -15.19 1 4 0 51 437.326 5 ↓

Parameters Provided:

ring.id = 101849
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 = 101849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101849&filter.purchasability=annotated

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