UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(4-fluorophenyl)methyl]-5,5-…

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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 1.16 -10.25 0 4 0 39 341.382 2 ↓

Analogs

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Popular Name: 5-methyl-5-nitro-1'-[(4-nitrophenyl)methyl]spiro[1,3-dioxane-2,3'-indoline]-2'-one 5-methyl-5-nitro-1'-[(4-nitrophe…

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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) 2.59 0.43 -17.12 0 10 0 130 399.359 4 ↓

Analogs

4718115
4718115
4721819
4721819

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Popular Name: 1'-[(2,6-dichlorophenyl)methyl]-5-methyl-5-nitro-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(2,6-dichlorophenyl)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) 3.90 9.59 -10.64 0 7 0 85 423.252 3 ↓

Analogs

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Popular Name: 1'-[(2-allyloxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(2-allyloxyphenyl)methyl]spi…

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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) 3.34 10.16 -11.78 0 5 0 48 351.402 5 ↓

Analogs

39915654
39915654

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Popular Name: 1'-[(4-hexoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(4-hexoxyphenyl)methyl]spiro…

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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) 5.19 11.71 -11.47 0 5 0 48 395.499 8 ↓

Analogs

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Popular Name: 1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(2,4-dichlorophenyl)methyl]s…

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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) 3.97 9.24 -10.92 0 4 0 39 364.228 2 ↓

Analogs

8046584
8046584

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Popular Name: 1'-[(2-allyloxyphenyl)methyl]-5'-methyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(2-allyloxyphenyl)methyl]-5'…

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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) 3.77 10.95 -11.28 0 5 0 48 365.429 5 ↓

Analogs

39915682
39915682
8046592
8046592

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Popular Name: 1'-[(4-hexoxyphenyl)methyl]-5'-methyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(4-hexoxyphenyl)methyl]-5'-m…

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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) 5.62 12.37 -11.27 0 5 0 48 409.526 8 ↓

Analogs

8046594
8046594

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Popular Name: 1'-[(2,4-dichlorophenyl)methyl]-5'-methyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(2,4-dichlorophenyl)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) 4.40 9.91 -10.77 0 4 0 39 378.255 2 ↓

Analogs

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Popular Name: 1'-[(2-allyloxyphenyl)methyl]-7'-methyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(2-allyloxyphenyl)methyl]-7'…

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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 10.58 -11.24 0 5 0 48 365.429 5 ↓

Analogs

39915715
39915715

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Popular Name: 1'-[(4-hexoxyphenyl)methyl]-7'-methyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(4-hexoxyphenyl)methyl]-7'-m…

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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) 5.59 11.95 -11.17 0 5 0 48 409.526 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[(2,4-dichlorophenyl)methyl]-7'-methyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(2,4-dichlorophenyl)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) 4.37 9.47 -10.08 0 4 0 39 378.255 2 ↓

Parameters Provided:

ring.id = 101174
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 = 101174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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