UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-2-(3-thienylmethyl)isoindoline-1,3-dione 4-amino-2-(3-thienylmethyl)isoin…

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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) 1.83 4.66 -8.67 2 4 0 65 258.302 2 ↓

Analogs

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Popular Name: 5-amino-2-(3-thienylmethyl)isoindoline-1,3-dione 5-amino-2-(3-thienylmethyl)isoin…

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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) 1.76 4.55 -8.78 2 4 0 65 258.302 2 ↓

Analogs

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Popular Name: 5-amino-2-[(1S)-1-(3-thienyl)ethyl]isoindoline-1,3-dione 5-amino-2-[(1S)-1-(3-thienyl)eth…

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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) 2.12 5.06 -9.52 2 4 0 65 272.329 2 ↓

Analogs

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Popular Name: 5-amino-2-[(1R)-1-(3-thienyl)ethyl]isoindoline-1,3-dione 5-amino-2-[(1R)-1-(3-thienyl)eth…

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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) 2.12 5.05 -9.54 2 4 0 65 272.329 2 ↓

Analogs

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Popular Name: 1,3-dioxo-2-[(1S)-1-(3-thienyl)ethyl]isoindoline-5-carboxylic 1,3-dioxo-2-[(1S)-1-(3-thienyl)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) 2.96 7.75 -44.51 0 5 -1 79 300.315 3 ↓

Analogs

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Popular Name: 1,3-dioxo-2-[(1R)-1-(3-thienyl)ethyl]isoindoline-5-carboxylic 1,3-dioxo-2-[(1R)-1-(3-thienyl)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) 2.96 7.73 -44.42 0 5 -1 79 300.315 3 ↓

Analogs

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Popular Name: 5-amino-2-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]isoindoline-1,3-dione 5-amino-2-[(1R)-1-(2,5-dimethyl-…

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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) 2.57 6.51 -9.12 2 4 0 65 300.383 2 ↓

Analogs

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Popular Name: 5-amino-2-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]isoindoline-1,3-dione 5-amino-2-[(1S)-1-(2,5-dimethyl-…

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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) 2.57 6.48 -9.23 2 4 0 65 300.383 2 ↓

Parameters Provided:

ring.id = 115530
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 = 115530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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