UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31679592
31679592
31810077
31810077

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Popular Name: methyl methyl

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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) 2.79 12.07 -14.73 0 7 0 86 377.4 6 ↓

Analogs

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Popular Name: 4-(4-chloro-2-nitro-phenoxy)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile 4-(4-chloro-2-nitro-phenoxy)-2-(…

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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) 3.19 13.12 -18.18 0 8 0 106 398.806 5 ↓

Analogs

25440456
25440456

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Popular Name: 4-(2,6-dichlorophenoxy)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile 4-(2,6-dichlorophenoxy)-2-(1,3-d…

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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) 3.88 12.63 -13.77 0 5 0 60 388.254 4 ↓

Analogs

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Popular Name: 4-(2-bromo-4-chloro-phenoxy)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile 4-(2-bromo-4-chloro-phenoxy)-2-(…

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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 12.64 -12.6 0 5 0 60 432.705 4 ↓

Analogs

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Popular Name: 3-chloro-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propoxy]benzonitrile 3-chloro-4-[3-cyano-3-(1,3-dimet…

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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) 2.98 12.39 -15.21 0 6 0 84 378.819 4 ↓

Parameters Provided:

ring.id = 105484
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 = 105484 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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