UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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) 3.99 11.19 -58.22 0 8 -1 106 470.505 6 ↓
Lo Low (pH 4.5-6) 3.54 12.97 -17.33 1 8 0 103 471.513 6 ↓

Analogs

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Popular Name: (5E)-1-(3-chlorophenyl)-5-[[1-(4-methoxy-2-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]hexahydr (5E)-1-(3-chlorophenyl)-5-[[1-(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) 3.74 9.88 -62.34 0 10 -1 135 493.883 5 ↓

Analogs

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Popular Name: (5Z)-1-(3-bromophenyl)-5-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]hexahydropyr (5Z)-1-(3-bromophenyl)-5-[[1-(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) 3.82 9.31 -52.98 0 7 -1 83 506.38 4 ↓

Analogs

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Popular Name: 2-chloro-4-[3-[(Z)-[1-(3-fluorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethy 2-chloro-4-[3-[(Z)-[1-(3-fluorop…

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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) 3.46 9.32 -94.41 0 8 -2 120 479.851 4 ↓

Analogs

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Popular Name: 5-[3-[(Z)-[1-(3-fluorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol- 5-[3-[(Z)-[1-(3-fluorophenyl)-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) 3.25 8.5 -165.09 0 10 -3 160 488.407 5 ↓

Parameters Provided:

ring.id = 95474
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 = 95474 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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