UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4343893
4343893
34593524
34593524
34593525
34593525
34593526
34593526
34593527
34593527

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Popular Name: 6-(4-methylphenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-methylphenyl)-6a,7-dihydro-…

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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) 6.18 0.77 -7.43 0 1 0 12 341.479 1 ↓

Analogs

34593524
34593524
34593525
34593525
34593526
34593526
34593527
34593527
4343891
4343891

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Popular Name: 6-(4-methylphenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-methylphenyl)-6a,7-dihydro-…

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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) 6.18 0.69 -7.55 0 1 0 12 341.479 1 ↓

Analogs

4343899
4343899
162907
162907
162912
162912

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Popular Name: 6-(4-fluorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-fluorophenyl)-6a,7-dihydro-…

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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) 5.90 1.19 -7.35 0 1 0 12 345.442 1 ↓

Analogs

162907
162907
162912
162912

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-fluorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-fluorophenyl)-6a,7-dihydro-…

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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) 5.90 1.11 -7.66 0 1 0 12 345.442 1 ↓

Analogs

4343903
4343903
4343905
4343905
4343907
4343907

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Popular Name: 6-(3-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(3-chlorophenyl)-6a,7-dihydro-…

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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) 6.39 0.23 -6.98 0 1 0 12 361.897 1 ↓

Analogs

4343905
4343905
4343907
4343907
4343901
4343901

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(3-chlorophenyl)-6a,7-dihydro-…

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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) 6.39 0.31 -7.61 0 1 0 12 361.897 1 ↓

Analogs

4343907
4343907
4343901
4343901
4343903
4343903

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(3-chlorophenyl)-6a,7-dihydro-…

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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) 6.39 0.31 -7.56 0 1 0 12 361.897 1 ↓

Analogs

4343901
4343901
4343903
4343903

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(3-chlorophenyl)-6a,7-dihydro-…

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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) 6.39 0.23 -7.02 0 1 0 12 361.897 1 ↓

Analogs

4343911
4343911
4343912
4343912
4343914
4343914

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-chlorophenyl)-6a,7-dihydro-…

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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) 6.41 0.24 -6.97 0 1 0 12 361.897 1 ↓

Analogs

4343912
4343912
4343914
4343914
4343909
4343909

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-chlorophenyl)-6a,7-dihydro-…

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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) 6.41 0.31 -6.91 0 1 0 12 361.897 1 ↓

Analogs

4343914
4343914
4343909
4343909

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-chlorophenyl)-6a,7-dihydro-…

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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) 6.41 0.31 -6.92 0 1 0 12 361.897 1 ↓

Analogs

4343909
4343909

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine 6-(4-chlorophenyl)-6a,7-dihydro-…

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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) 6.41 0.22 -7.04 0 1 0 12 361.897 1 ↓

Parameters Provided:

ring.id = 247453
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 = 247453 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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