UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4724132
4724132

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Popular Name: 2-(3-chlorophenoxy)-N-[(2-ethoxy-1-naphthyl)methyleneamino]acetamide 2-(3-chlorophenoxy)-N-[(2-ethoxy…

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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) 5.27 10.78 -19.57 1 5 0 60 382.847 7 ↓

Analogs

12403431
12403431
12403433
12403433
12579998
12579998
12580011
12580011
12289767
12289767

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-(1-naphthylmethylene)acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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) 6.67 0.8 -20.68 1 4 0 51 439.353 6 ↓

Analogs

12580011
12580011
12403424
12403424
12289767
12289767

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-[(4-methoxy-1-naphthyl)methylene]acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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) 6.68 0.92 -21.25 1 5 0 60 469.379 7 ↓

Analogs

12580057
12580057

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-[(2-methoxy-1-naphthyl)methylene]acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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) 6.68 0.92 -20.08 1 5 0 60 469.379 7 ↓

Analogs

12580081
12580081

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Popular Name: 2-(2-bromo-4-tert-butylphenoxy)-N'-[(2-hydroxy-1-naphthyl)methylene]acetohydrazide 2-(2-bromo-4-tert-butylphenoxy)-…

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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) 6.61 -1.06 -19.26 2 5 0 71 455.352 6 ↓

Analogs

16693148
16693148
34983225
34983225

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Popular Name: 2-(2,4-dimethylphenoxy)-N-[(E)-(2-ethoxy-1-naphthyl)methyleneamino]acetamide 2-(2,4-dimethylphenoxy)-N-[(E)-(…

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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) 5.44 1.19 -18.21 1 5 0 59 376.456 7 ↓

Analogs

20103177
20103177
30902109
30902109

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Popular Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-(1-naphthylmethyleneamino)acetamide 2-(2-bromo-4,6-dimethyl-phenoxy)…

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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) 5.79 12.1 -14.55 1 4 0 51 411.299 5 ↓

Analogs

12582507
12582507

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Popular Name: 2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-1-naphthyl)methyleneamino]acetamide 2-(4-bromophenoxy)-N-[(Z)-(2-hyd…

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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) 4.98 7.79 -15.74 2 5 0 71 399.244 5 ↓
Hi High (pH 8-9.5) 4.98 8.62 -45.38 1 5 -1 74 398.236 5 ↓

Parameters Provided:

ring.id = 68279
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 = 68279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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