UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27028418
27028418
27028423
27028423

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Popular Name: (6R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6R)-3-methyl-6-phenyl-6,7-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) 1.67 6.76 -10.38 1 4 0 43 232.312 1 ↓

Analogs

27028418
27028418
27028423
27028423

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Popular Name: (6S)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6S)-3-methyl-6-phenyl-6,7-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) 1.67 6.77 -10.56 1 4 0 43 232.312 1 ↓

Analogs

27028418
27028418
27028423
27028423
27526159
27526159

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Popular Name: (6S)-3-cyclopropyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6S)-3-cyclopropyl-6-phenyl-6,7-…

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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) 2.03 8.24 -10.2 1 4 0 43 258.35 2 ↓

Analogs

13015690
13015690
13015693
13015693

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Popular Name: (6S)-6-(p-tolyl)-3-[(2R)-tetrahydrofuran-2-yl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi (6S)-6-(p-tolyl)-3-[(2R)-tetrahy…

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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) 2.48 7.49 -11.76 1 5 0 52 302.403 2 ↓

Analogs

27028389
27028389
27028396
27028396
27028418
27028418

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Popular Name: (6R)-6-(3-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6R)-6-(3-methoxyphenyl)-3-methy…

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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) 1.70 6.05 -11.89 1 5 0 52 262.338 2 ↓

Analogs

27028389
27028389
27028396
27028396
27028418
27028418

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-(3-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6S)-6-(3-methoxyphenyl)-3-methy…

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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) 1.70 6.07 -11.78 1 5 0 52 262.338 2 ↓

Analogs

27028389
27028389
27028396
27028396
27028418
27028418

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6R)-6-(4-methoxyphenyl)-3-methy…

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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) 1.73 6.05 -11.86 1 5 0 52 262.338 2 ↓

Analogs

27028389
27028389
27028396
27028396
27028418
27028418

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6S)-6-(4-methoxyphenyl)-3-methy…

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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) 1.73 6.07 -12.04 1 5 0 52 262.338 2 ↓

Analogs

20899878
20899878

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Popular Name: (6R)-6-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6R)-6-(4-chlorophenyl)-3-(4-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 9.56 -12.63 1 5 0 52 358.854 3 ↓

Analogs

20899876
20899876

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Popular Name: (6S)-6-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (6S)-6-(4-chlorophenyl)-3-(4-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 -13.21 1 5 0 52 358.854 3 ↓

Parameters Provided:

ring.id = 72642
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 = 72642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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