UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20895560
20895560
15832903
15832903
15832905
15832905

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Popular Name: [4-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-methoxy-phenyl] [4-[(2S)-5-acetamido-3-acetyl-2H…

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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) 1.71 8.74 -21.41 1 8 0 97 419.484 6 ↓

Analogs

20895557
20895557
15832903
15832903
15832905
15832905

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-methoxy-phenyl] [4-[(2R)-5-acetamido-3-acetyl-2H…

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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) 1.71 8.73 -23.03 1 8 0 97 419.484 6 ↓

Analogs

20895737
20895737

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]phenyl] [4-[(2R)-5-acetamido-3-acetyl-2H…

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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 9.03 -20.22 1 7 0 88 389.458 5 ↓

Analogs

20895735
20895735

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]phenyl] [4-[(2S)-5-acetamido-3-acetyl-2H…

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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 8.96 -18.86 1 7 0 88 389.458 5 ↓

Analogs

20895840
20895840

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-bromo-6-methoxy-phenyl] [4-[(2S)-5-acetamido-3-acetyl-2H…

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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) 2.64 9.33 -23.44 1 8 0 97 498.38 6 ↓

Analogs

20895837
20895837

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-bromo-6-methoxy-phenyl] [4-[(2R)-5-acetamido-3-acetyl-2H…

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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) 2.64 9.32 -21.99 1 8 0 97 498.38 6 ↓

Analogs

20895871
20895871

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-bromo-phenyl] [4-[(2R)-5-acetamido-3-acetyl-2H…

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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) 2.86 9.55 -20.18 1 7 0 88 468.354 5 ↓

Analogs

20895868
20895868

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-bromo-phenyl] [4-[(2S)-5-acetamido-3-acetyl-2H…

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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) 2.86 9.59 -21.47 1 7 0 88 468.354 5 ↓

Parameters Provided:

ring.id = 79741
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 = 79741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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