UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4343870
4343870
4343871
4343871
4343873
4343873
4343874
4343874
4343876
4343876

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Popular Name: 7-(4-methylphenyl)-6a,7-dihydro-6H-[1]benzothiopyrano[3,4-c][1,5]benzothiazepine 7-(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) 6.44 0.24 -6.2 0 1 0 12 373.546 1 ↓

Analogs

4343871
4343871
4343873
4343873
4343874
4343874
4343876
4343876
4343878
4343878

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Popular Name: 7-(4-methylphenyl)-6a,7-dihydro-6H-[1]benzothiopyrano[3,4-c][1,5]benzothiazepine 7-(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) 6.44 0.16 -6.7 0 1 0 12 373.546 1 ↓

Analogs

4343873
4343873
4343874
4343874
4343876
4343876
4343878
4343878
4343880
4343880

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Popular Name: 7-(4-methylphenyl)-6a,7-dihydro-6H-[1]benzothiopyrano[3,4-c][1,5]benzothiazepine 7-(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) 6.44 0.16 -6.63 0 1 0 12 373.546 1 ↓

Analogs

4343874
4343874
4343876
4343876
4343878
4343878
4343880
4343880
4343869
4343869

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Popular Name: 7-(4-methylphenyl)-6a,7-dihydro-6H-[1]benzothiopyrano[3,4-c][1,5]benzothiazepine 7-(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) 6.44 0.24 -6.2 0 1 0 12 373.546 1 ↓

Analogs

4343876
4343876
4343878
4343878
4343880
4343880
4343869
4343869
4343870
4343870

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Popular Name: 7-(4-isopropylphenyl)-6a,7-dihydro-6H-thiochromeno[3,4-c][1,5]benzothiazepine 7-(4-isopropylphenyl)-6a,7-dihyd…

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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) 7.50 0.71 -5.83 0 1 0 12 401.6 2 ↓

Analogs

4343878
4343878
4343880
4343880
4343869
4343869
4343870
4343870

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-isopropylphenyl)-6a,7-dihydro-6H-thiochromeno[3,4-c][1,5]benzothiazepine 7-(4-isopropylphenyl)-6a,7-dihyd…

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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) 7.50 0.63 -6.35 0 1 0 12 401.6 2 ↓

Analogs

4343880
4343880
4343869
4343869
4343870
4343870

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-isopropylphenyl)-6a,7-dihydro-6H-thiochromeno[3,4-c][1,5]benzothiazepine 7-(4-isopropylphenyl)-6a,7-dihyd…

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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) 7.50 0.67 -6.18 0 1 0 12 401.6 2 ↓

Analogs

4343869
4343869
4343870
4343870

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-isopropylphenyl)-6a,7-dihydro-6H-thiochromeno[3,4-c][1,5]benzothiazepine 7-(4-isopropylphenyl)-6a,7-dihyd…

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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) 7.50 0.72 -5.87 0 1 0 12 401.6 2 ↓

Analogs

4343885
4343885
1037049
1037049
1037050
1037050

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Popular Name: (4-methoxyphenyl)BLAH (4-methoxyphenyl)BLAH

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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) 6.04 -0.15 -7.46 0 2 0 21 389.545 2 ↓

Analogs

4343883
4343883
1037049
1037049

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Popular Name: (4-methoxyphenyl)BLAH (4-methoxyphenyl)BLAH

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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) 6.04 -0.08 -7.04 0 2 0 21 389.545 2 ↓

Analogs

4343887
4343887
1037053
1037053
1037055
1037055

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Popular Name: 7-(4-fluorophenyl)-6a,7-dihydro-6H-[1]benzothiopyrano[3,4-c][1,5]benzothiazepine 7-(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) 6.15 0.65 -6.23 0 1 0 12 377.509 1 ↓

Analogs

4343886
4343886
1037053
1037053

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-fluorophenyl)-6a,7-dihydro-6H-[1]benzothiopyrano[3,4-c][1,5]benzothiazepine 7-(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) 6.15 0.57 -6.67 0 1 0 12 377.509 1 ↓

Parameters Provided:

ring.id = 247445
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 = 247445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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