UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39710621
39710621
39710623
39710623
39710625
39710625
39710627
39710627
39710629
39710629

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Popular Name: N-benzyl-N-(7-chloro-4-methoxy-benzothiazol-2-yl)-4-phenylsulfonyl-butanamide N-benzyl-N-(7-chloro-4-methoxy-b…

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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) 4.32 -2.95 -31.9 0 6 0 76 515.056 9 ↓

Analogs

10515611
10515611
39710757
39710757
39710759
39710759
39710761
39710761
39710764
39710764

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Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-4-phenylsulfonyl-butanamide N-benzyl-N-(6-chloro-4-methyl-be…

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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) 4.71 -2.58 -27.03 0 5 0 67 499.057 8 ↓

Analogs

10515607
10515607

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Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide N-benzyl-N-(6-chloro-4-methyl-be…

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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) 5.16 -2.26 -26.81 0 5 0 67 513.084 8 ↓

Analogs

36717932
36717932
39710761
39710761

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Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide N-benzyl-N-(6-chloro-4-methyl-be…

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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) 4.88 -1.84 -26.82 0 5 0 67 517.047 8 ↓

Analogs

10515197
10515197

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Popular Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide N-benzyl-N-(7-chloro-4-methoxy-1…

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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) 4.77 12.48 -31.55 0 6 0 77 529.083 9 ↓

Analogs

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Popular Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide N-benzyl-N-(7-chloro-4-methoxy-1…

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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) 4.49 11.82 -31.44 0 6 0 77 533.046 9 ↓

Analogs

10515197
10515197

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Popular Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)sulfonyl-butanamide N-benzyl-N-(7-chloro-4-methoxy-1…

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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) 5.00 12.27 -31.05 0 6 0 77 549.501 9 ↓

Analogs

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Popular Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide N-benzyl-N-(7-chloro-4-methoxy-1…

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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) 4.38 11.1 -32.25 0 7 0 86 545.082 10 ↓

Parameters Provided:

ring.id = 10118
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 = 10118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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