UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2782753
2782753
2782754
2782754
2782755
2782755

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Popular Name: (6R,7R)-7-[(2,5-dimethylpyrazole-3-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6R,7R)-7-[(2,5-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) 0.07 -4.19 -68.92 1 10 -1 133 465.562 6 ↓

Analogs

2782754
2782754
2782755
2782755
2782752
2782752

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2,5-dimethylpyrazole-3-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6R,7S)-7-[(2,5-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) 0.07 -3.28 -63.58 1 10 -1 133 465.562 6 ↓

Analogs

2782755
2782755
2782752
2782752

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2,5-dimethylpyrazole-3-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6S,7R)-7-[(2,5-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) 0.07 4.72 -68.07 1 10 -1 133 465.562 6 ↓

Analogs

2782752
2782752

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2,5-dimethylpyrazole-3-carbonyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m (6S,7S)-7-[(2,5-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) 0.07 -4.15 -68.64 1 10 -1 133 465.562 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.45 4.78 -65.67 1 10 -1 133 485.98 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.45 4.78 -62.23 1 10 -1 133 485.98 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.45 4.52 -62.94 1 10 -1 133 485.98 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.45 4.64 -66.83 1 10 -1 133 485.98 6 ↓

Parameters Provided:

ring.id = 234474
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 = 234474 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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