UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44526168
44526168
44526170
44526170
52290104
52290104
52290106
52290106
52290108
52290108

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Popular Name: 5-amino-2-(cyclopropylmethyl)-2,3-dihydro-1H-isoindole-1,3-dione 5-amino-2-(cyclopropylmethyl)-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) 1.45 4.36 -10.96 2 4 0 65 216.24 2 ↓

Analogs

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Popular Name: 4-amino-2-(cyclopropylmethyl)isoindoline-1,3-dione 4-amino-2-(cyclopropylmethyl)iso…

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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) 1.52 4.49 -9.86 2 4 0 65 216.24 2 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyanopropyl]-3-[2-(cyclopropylmethyl)-1,3-dioxo-isoindolin-5-yl]-1-methyl-urea 1-[(2S)-2-cyanopropyl]-3-[2-(cyc…

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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) 2.65 8.06 -15.9 1 7 0 95 340.383 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyanopropyl]-3-[2-(cyclopropylmethyl)-1,3-dioxo-isoindolin-5-yl]-1-methyl-urea 1-[(2R)-2-cyanopropyl]-3-[2-(cyc…

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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) 2.65 7.78 -15.16 1 7 0 95 340.383 5 ↓

Analogs

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Popular Name: 2-[[2-(cyclopropylmethyl)-1,3-dioxo-isoindolin-5-yl]carbamoylamino]-N-ethyl-acetamide 2-[[2-(cyclopropylmethyl)-1,3-di…

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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) 1.86 3.2 -12.67 3 8 0 109 344.371 6 ↓

Analogs

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Popular Name: 2-(cyclopropylmethyl)-1,3-dioxo-isoindoline-5-carboxylic 2-(cyclopropylmethyl)-1,3-dioxo-…

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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) 2.28 6.87 -42.86 0 5 -1 79 244.226 3 ↓

Analogs

261902
261902

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Popular Name: (2R)-2-cyclopropyl-2-(1,3-dioxoisoindolin-2-yl)propanoic (2R)-2-cyclopropyl-2-(1,3-dioxoi…

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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) 2.07 7.15 -57.07 0 5 -1 79 258.253 3 ↓

Analogs

261902
261902

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Popular Name: (2S)-2-cyclopropyl-2-(1,3-dioxoisoindolin-2-yl)propanoic (2S)-2-cyclopropyl-2-(1,3-dioxoi…

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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) 2.07 7.18 -58.15 0 5 -1 79 258.253 3 ↓

Parameters Provided:

ring.id = 71046
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 = 71046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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