UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-2-[(1R)-1-(3-methyl-2-thienyl)ethyl]isoindoline-1,3-dione 4-amino-2-[(1R)-1-(3-methyl-2-th…

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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) 2.88 5.88 -9.57 2 4 0 65 286.356 2 ↓

Analogs

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Popular Name: 4-amino-2-[(1S)-1-(3-methyl-2-thienyl)ethyl]isoindoline-1,3-dione 4-amino-2-[(1S)-1-(3-methyl-2-th…

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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) 2.88 5.88 -9.6 2 4 0 65 286.356 2 ↓

Analogs

41203712
41203712
36955841
36955841
36955842
36955842

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R)-1-(5-ethyl-2-thienyl)ethyl]isoindoline-1,3-dione 4-amino-2-[(1R)-1-(5-ethyl-2-thi…

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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) 3.30 6.96 -9.65 2 4 0 65 300.383 3 ↓

Analogs

41203709
41203709
36955841
36955841
36955842
36955842

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S)-1-(5-ethyl-2-thienyl)ethyl]isoindoline-1,3-dione 4-amino-2-[(1S)-1-(5-ethyl-2-thi…

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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) 3.30 6.95 -9.65 2 4 0 65 300.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S)-2-methyl-1-(2-thienyl)propyl]isoindoline-1,3-dione 4-amino-2-[(1S)-2-methyl-1-(2-th…

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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 7.05 -9.44 2 4 0 65 300.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R)-2-methyl-1-(2-thienyl)propyl]isoindoline-1,3-dione 4-amino-2-[(1R)-2-methyl-1-(2-th…

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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 7.03 -9.32 2 4 0 65 300.383 3 ↓

Analogs

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Popular Name: 4-amino-2-[(1S)-1-(3-bromo-2-thienyl)ethyl]isoindoline-1,3-dione 4-amino-2-[(1S)-1-(3-bromo-2-thi…

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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) 3.24 5.86 -9.03 2 4 0 65 351.225 2 ↓

Analogs

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Popular Name: 4-amino-2-[(1R)-1-(3-bromo-2-thienyl)ethyl]isoindoline-1,3-dione 4-amino-2-[(1R)-1-(3-bromo-2-thi…

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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) 3.24 5.86 -8.99 2 4 0 65 351.225 2 ↓

Analogs

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

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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) 2.94 6.3 -9.25 2 4 0 65 286.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 2.94 6.32 -9.26 2 4 0 65 286.356 3 ↓

Analogs

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

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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) 3.50 7.08 -9.15 2 4 0 65 300.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.50 7.09 -9.13 2 4 0 65 300.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1S)-1-(2-thienyl)butyl]isoindoline-1,3-dione 4-amino-2-[(1S)-1-(2-thienyl)but…

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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) 3.56 7.18 -9.17 2 4 0 65 300.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(1R)-1-(2-thienyl)butyl]isoindoline-1,3-dione 4-amino-2-[(1R)-1-(2-thienyl)but…

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Activity (Go SEA)

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) 3.56 7.19 -9.07 2 4 0 65 300.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1S)-2-methyl-1-(2-thienyl)propyl]isoindoline-1,3-dione 5-amino-2-[(1S)-2-methyl-1-(2-th…

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Activity (Go SEA)

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) 3.18 6.91 -9.22 2 4 0 65 300.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1R)-2-methyl-1-(2-thienyl)propyl]isoindoline-1,3-dione 5-amino-2-[(1R)-2-methyl-1-(2-th…

Find On: PubMed — Wikipedia — Google

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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) 3.18 6.92 -9.18 2 4 0 65 300.383 3 ↓

Parameters Provided:

ring.id = 520324
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 = 520324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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