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

Analogs

20898828
20898828
21525178
21525178
21525180
21525180

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(4-benzyloxyphenyl)-3-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) 3.36 8.58 -10.49 2 5 0 67 365.458 4 ↓

Analogs

21525178
21525178
21525180
21525180
20898826
20898826

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(4-benzyloxyphenyl)-3-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) 3.36 8.57 -10.47 2 5 0 67 365.458 4 ↓

Analogs

20898836
20898836

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Popular Name: (4S)-3-methyl-4-[4-(m-tolylmethoxy)phenyl]-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-[4-(m-tolylmetho…

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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) 3.79 9.19 -10.06 2 5 0 67 379.485 4 ↓

Analogs

20898834
20898834

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Popular Name: (4R)-3-methyl-4-[4-(m-tolylmethoxy)phenyl]-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-3-methyl-4-[4-(m-tolylmetho…

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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) 3.79 9.18 -10.11 2 5 0 67 379.485 4 ↓

Analogs

20898840
20898840

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Popular Name: (4S)-4-[4-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4S)-4-[4-[(2-fluorophenyl)metho…

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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 8.72 -10.89 2 5 0 67 383.448 4 ↓

Analogs

20898838
20898838

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Popular Name: (4R)-4-[4-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4R)-4-[4-[(2-fluorophenyl)metho…

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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 8.73 -10.9 2 5 0 67 383.448 4 ↓

Analogs

20898848
20898848

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Popular Name: (4S)-4-[4-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4S)-4-[4-[(4-fluorophenyl)metho…

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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) 3.53 8.65 -11.06 2 5 0 67 383.448 4 ↓

Analogs

20898846
20898846

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Popular Name: (4R)-4-[4-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4R)-4-[4-[(4-fluorophenyl)metho…

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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) 3.53 8.64 -11.09 2 5 0 67 383.448 4 ↓

Analogs

20898852
20898852

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4S)-4-[4-[(2-chlorophenyl)metho…

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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) 3.99 9.16 -10.47 2 5 0 67 399.903 4 ↓

Analogs

20898850
20898850

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4R)-4-[4-[(2-chlorophenyl)metho…

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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) 3.99 9.15 -10.45 2 5 0 67 399.903 4 ↓

Analogs

20898857
20898857

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Popular Name: (4S)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4S)-4-[4-[(4-chlorophenyl)metho…

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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) 4.04 9.1 -10.51 2 5 0 67 399.903 4 ↓

Analogs

20898854
20898854

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Popular Name: (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-o (4R)-4-[4-[(4-chlorophenyl)metho…

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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) 4.04 9.09 -10.49 2 5 0 67 399.903 4 ↓

Analogs

20898865
20898865

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Popular Name: (4S)-4-[3-methoxy-4-(o-tolylmethoxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7- (4S)-4-[3-methoxy-4-(o-tolylmeth…

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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) 3.35 9.16 -12.12 2 6 0 76 409.511 5 ↓

Analogs

20898863
20898863

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[3-methoxy-4-(o-tolylmethoxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7- (4R)-4-[3-methoxy-4-(o-tolylmeth…

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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) 3.35 9.14 -12.17 2 6 0 76 409.511 5 ↓

Analogs

20898869
20898869
20898871
20898871
20898873
20898873

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Popular Name: (4S)-4-[3-methoxy-4-(m-tolylmethoxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7- (4S)-4-[3-methoxy-4-(m-tolylmeth…

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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) 3.38 9.1 -12.23 2 6 0 76 409.511 5 ↓

Analogs

20898871
20898871
20898873
20898873
20898867
20898867

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[3-methoxy-4-(m-tolylmethoxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7- (4R)-4-[3-methoxy-4-(m-tolylmeth…

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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) 3.38 9.1 -12.16 2 6 0 76 409.511 5 ↓

Analogs

20898873
20898873
20898867
20898867
20898869
20898869

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Popular Name: (4S)-4-[3-methoxy-4-(p-tolylmethoxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7- (4S)-4-[3-methoxy-4-(p-tolylmeth…

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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) 3.40 9.12 -12.16 2 6 0 76 409.511 5 ↓

Analogs

20898867
20898867
20898869
20898869
20898871
20898871

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Popular Name: (4R)-4-[3-methoxy-4-(p-tolylmethoxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7- (4R)-4-[3-methoxy-4-(p-tolylmeth…

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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) 3.40 9.11 -12.16 2 6 0 76 409.511 5 ↓

Analogs

20898877
20898877

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Popular Name: (4S)-4-[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4S)-4-[4-[(2-fluorophenyl)metho…

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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) 3.07 8.62 -12.29 2 6 0 76 413.474 5 ↓

Analogs

20898875
20898875

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Popular Name: (4R)-4-[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4R)-4-[4-[(2-fluorophenyl)metho…

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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) 3.07 8.62 -12.38 2 6 0 76 413.474 5 ↓

Analogs

20898881
20898881

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Popular Name: (4S)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4S)-4-[4-[(4-fluorophenyl)metho…

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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) 3.11 8.56 -12.97 2 6 0 76 413.474 5 ↓

Analogs

20898879
20898879

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Popular Name: (4R)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4R)-4-[4-[(4-fluorophenyl)metho…

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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) 3.11 8.56 -12.95 2 6 0 76 413.474 5 ↓

Analogs

20898889
20898889

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Popular Name: (4S)-4-[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4S)-4-[4-[(3-chlorophenyl)metho…

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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) 3.61 9.01 -12.62 2 6 0 76 429.929 5 ↓

Analogs

20898887
20898887

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Popular Name: (4R)-4-[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4R)-4-[4-[(3-chlorophenyl)metho…

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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) 3.61 9 -12.73 2 6 0 76 429.929 5 ↓

Analogs

20898893
20898893

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4S)-4-[4-[(2-chlorophenyl)metho…

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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) 3.58 9.04 -11.9 2 6 0 76 429.929 5 ↓

Analogs

20898891
20898891

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]th (4R)-4-[4-[(2-chlorophenyl)metho…

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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) 3.58 9.05 -11.94 2 6 0 76 429.929 5 ↓

Parameters Provided:

ring.id = 81578
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 = 81578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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