UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20893043
20893043
21523903
21523903
21523905
21523905

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Popular Name: (4S)-3-methyl-1-(p-tolyl)-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-1-(p-tolyl)-4-(3-t…

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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) 3.09 9.93 -8.48 1 4 0 47 355.488 2 ↓

Analogs

21523903
21523903
21523905
21523905
20893040
20893040

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Popular Name: (4R)-3-methyl-1-(p-tolyl)-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-3-methyl-1-(p-tolyl)-4-(3-t…

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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) 3.09 9.86 -8.49 1 4 0 47 355.488 2 ↓

Analogs

20893048
20893048

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Popular Name: (4R)-1-(4-fluorophenyl)-3-methyl-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-1-(4-fluorophenyl)-3-methyl…

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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) 2.80 9.28 -7.66 1 4 0 47 359.451 2 ↓

Analogs

20893045
20893045

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Popular Name: (4S)-1-(4-fluorophenyl)-3-methyl-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-1-(4-fluorophenyl)-3-methyl…

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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) 2.80 9.31 -7.54 1 4 0 47 359.451 2 ↓

Analogs

20893053
20893053

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Popular Name: (4R)-1-(2-chlorophenyl)-3-methyl-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-1-(2-chlorophenyl)-3-methyl…

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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) 3.48 9.83 -9.19 1 4 0 47 375.906 2 ↓

Analogs

20893051
20893051

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Popular Name: (4S)-1-(2-chlorophenyl)-3-methyl-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-1-(2-chlorophenyl)-3-methyl…

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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) 3.48 9.82 -9.22 1 4 0 47 375.906 2 ↓

Analogs

20893057
20893057

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Popular Name: (4S)-1-(4-methoxyphenyl)-3-methyl-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-1-(4-methoxyphenyl)-3-methy…

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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) 2.70 8.55 -8.82 1 5 0 56 371.487 3 ↓

Analogs

20893055
20893055

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Popular Name: (4R)-1-(4-methoxyphenyl)-3-methyl-4-(3-thienyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-1-(4-methoxyphenyl)-3-methy…

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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) 2.70 8.53 -9.05 1 5 0 56 371.487 3 ↓

Parameters Provided:

ring.id = 77863
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 = 77863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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