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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36209938
36209938
36209941
36209941
36209943
36209943
4668458
4668458
4668460
4668460

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(4-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine (2E)-N-[(1S,2R,3R)-2,3-dimethylc…

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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) 4.84 9.66 -14.2 2 5 0 71 436.577 4 ↓

Analogs

36209941
36209941
36209943
36209943
36209936
36209936
4668458
4668458

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(4-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine (2E)-N-[(1S,2R,3S)-2,3-dimethylc…

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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) 4.84 10.47 -13.55 2 5 0 71 436.577 4 ↓

Analogs

36209943
36209943
36209936
36209936
36209938
36209938

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(4-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine (2E)-N-[(1R,2R,3R)-2,3-dimethylc…

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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) 4.84 9.81 -14.29 2 5 0 71 436.577 4 ↓

Analogs

36209936
36209936
36209938
36209938

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(4-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine (2E)-N-[(1R,2R,3S)-2,3-dimethylc…

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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) 4.84 10.05 -14.34 2 5 0 71 436.577 4 ↓

Analogs

36209948
36209948
36213554
36213554
36213556
36213556
36213559
36213559
36213560
36213560

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(3-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine (2E)-N-[(1R,2R,3R)-2,3-dimethylc…

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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) 4.82 9.81 -13.8 2 5 0 71 436.577 4 ↓

Analogs

36213554
36213554
36213556
36213556
36213559
36213559
36213560
36213560
33696982
33696982

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(3-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine (2E)-N-[(1R,2R,3S)-2,3-dimethylc…

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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) 4.82 10.04 -13.75 2 5 0 71 436.577 4 ↓

Analogs

36213556
36213556
36213559
36213559
36213560
36213560
36209945
36209945
36209948
36209948

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(3,4-dimethoxyphenyl)methylene]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-oxo-4H-1,4-benzothia (2E)-2-[(3,4-dimethoxyphenyl)met…

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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) 4.43 9.57 -16.29 2 6 0 80 466.603 5 ↓

Analogs

36213559
36213559
36213560
36213560
36213554
36213554
33696982
33696982

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(3,4-dimethoxyphenyl)methylene]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-oxo-4H-1,4-benzothia (2E)-2-[(3,4-dimethoxyphenyl)met…

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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) 4.43 10.37 -15.59 2 6 0 80 466.603 5 ↓

Analogs

36213560
36213560
36213554
36213554
36213556
36213556

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(3,4-dimethoxyphenyl)methylene]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-oxo-4H-1,4-benzothia (2E)-2-[(3,4-dimethoxyphenyl)met…

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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) 4.43 9.74 -16.34 2 6 0 80 466.603 5 ↓

Analogs

36213554
36213554
36213556
36213556

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(3,4-dimethoxyphenyl)methylene]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-oxo-4H-1,4-benzothia (2E)-2-[(3,4-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

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) 4.43 9.96 -16.34 2 6 0 80 466.603 5 ↓

Parameters Provided:

ring.id = 82839
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 = 82839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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