UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20896077
20896077

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Popular Name: [2-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]phenyl] [2-[(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) 2.06 7.16 -24.64 1 8 0 105 433.511 5 ↓

Analogs

20896074
20896074

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Popular Name: [2-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]phenyl] [2-[(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) 2.06 7.28 -23.86 1 8 0 105 433.511 5 ↓

Analogs

20896147
20896147

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Popular Name: [2-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-chloro-phenyl] [2-[(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) 2.71 7.76 -22.86 1 8 0 105 467.956 5 ↓

Analogs

20896144
20896144

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Popular Name: [2-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-chloro-phenyl] [2-[(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) 2.71 7.77 -21.73 1 8 0 105 467.956 5 ↓

Analogs

20896320
20896320

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Popular Name: [2-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-methyl-phenyl] [2-[(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) 2.03 7.19 -25.52 1 8 0 105 433.511 5 ↓

Analogs

20896317
20896317

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Popular Name: [2-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-methyl-phenyl] [2-[(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) 2.03 7.33 -23.86 1 8 0 105 433.511 5 ↓

Analogs

20896326
20896326

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Popular Name: [2-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-methyl-phenyl] [2-[(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) 2.48 7.92 -24.8 1 8 0 105 447.538 5 ↓

Analogs

20896323
20896323

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Popular Name: [2-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-methyl-phenyl] [2-[(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) 2.48 7.99 -23.66 1 8 0 105 447.538 5 ↓

Analogs

20896416
20896416

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Popular Name: [2-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-methoxy-phenyl] [2-[(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) 2.09 6.57 -24.34 1 9 0 114 463.537 6 ↓

Analogs

20896413
20896413

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Popular Name: [2-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-4-methoxy-phenyl] [2-[(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) 2.09 6.56 -26.02 1 9 0 114 463.537 6 ↓

Parameters Provided:

ring.id = 79974
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 = 79974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=79974&filter.purchasability=annotated

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