UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2782648
2782648
2782649
2782649
2782650
2782650
2783703
2783703
2783704
2783704

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6R,7R)-7-[(1,3-dimethylpyrazole…

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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) -0.24 5.03 -73.21 1 10 -1 133 465.562 6 ↓

Analogs

2782649
2782649
2782650
2782650
2783703
2783703
2783704
2783704
2783705
2783705

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6R,7S)-7-[(1,3-dimethylpyrazole…

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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) -0.24 5.43 -67.3 1 10 -1 133 465.562 6 ↓

Analogs

2782650
2782650
2783703
2783703
2783704
2783704
2783705
2783705
2783706
2783706

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6S,7R)-7-[(1,3-dimethylpyrazole…

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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) -0.24 4.55 -74.5 1 10 -1 133 465.562 6 ↓

Analogs

2783703
2783703
2783704
2783704
2783705
2783705
2783706
2783706
2782647
2782647

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6S,7S)-7-[(1,3-dimethylpyrazole…

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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) -0.24 5.66 -65.96 1 10 -1 133 465.562 6 ↓

Analogs

2782827
2782827
2782828
2782828
2782829
2782829
2783703
2783703
2783704
2783704

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(1,3,5-trimethylpyrazole-4-carbon (6R,7R)-8-keto-3-[[(5-methyl-1,3…

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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) -0.02 5.4 -70.86 1 10 -1 133 479.589 6 ↓

Analogs

2782828
2782828
2782829
2782829
2783703
2783703
2783704
2783704
2783705
2783705

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(1,3,5-trimethylpyrazole-4-carbon (6R,7S)-8-keto-3-[[(5-methyl-1,3…

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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) -0.02 5.16 -71.39 1 10 -1 133 479.589 6 ↓

Analogs

2782829
2782829
2783703
2783703
2783704
2783704
2783705
2783705
2783706
2783706

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(1,3,5-trimethylpyrazole-4-carbon (6S,7R)-8-keto-3-[[(5-methyl-1,3…

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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) -0.02 5.03 -73.96 1 10 -1 133 479.589 6 ↓

Analogs

2783703
2783703
2783704
2783704
2783705
2783705
2783706
2783706
2782826
2782826

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(1,3,5-trimethylpyrazole-4-carbon (6S,7S)-8-keto-3-[[(5-methyl-1,3…

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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) -0.02 6.05 -63.44 1 10 -1 133 479.589 6 ↓

Analogs

2782649
2782649

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)t (6R,7R)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.13 6.29 -66.26 1 10 -1 133 479.589 7 ↓

Analogs

2782649
2782649

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)t (6R,7S)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.13 6.29 -69.27 1 10 -1 133 479.589 7 ↓

Analogs

2782649
2782649

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)t (6S,7R)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.13 5.52 -76.87 1 10 -1 133 479.589 7 ↓

Analogs

2782649
2782649

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)t (6S,7S)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.13 6.21 -69.72 1 10 -1 133 479.589 7 ↓

Analogs

2784104
2784104
2784105
2784105
2784106
2784106

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-8-keto-7-[(1-methylpyrazole-4-carbonyl)amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methy (6S,7S)-8-keto-7-[(1-methylpyraz…

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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) -0.47 5.04 -65.11 1 10 -1 133 451.535 6 ↓

Analogs

2784105
2784105
2784106
2784106
2784103
2784103

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-8-keto-7-[(1-methylpyrazole-4-carbonyl)amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methy (6R,7S)-8-keto-7-[(1-methylpyraz…

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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) -0.47 4.19 -73.24 1 10 -1 133 451.535 6 ↓

Analogs

2784106
2784106
2784103
2784103
2784104
2784104

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-8-keto-7-[(1-methylpyrazole-4-carbonyl)amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methy (6S,7R)-8-keto-7-[(1-methylpyraz…

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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) -0.47 4.02 -72.88 1 10 -1 133 451.535 6 ↓

Analogs

2784103
2784103
2784104
2784104

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-8-keto-7-[(1-methylpyrazole-4-carbonyl)amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methy (6R,7R)-8-keto-7-[(1-methylpyraz…

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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) -0.47 4.42 -72.66 1 10 -1 133 451.535 6 ↓

Parameters Provided:

ring.id = 234428
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 = 234428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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