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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-[[(2S)-tetrahydrofuran-2-yl]me…

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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) 2.11 5.33 -15.71 1 6 0 69 302.359 3 ↓
Lo Low (pH 4.5-6) 2.11 5.8 -32.86 2 6 1 70 303.367 3 ↓

Analogs

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Popular Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-[[(2R)-tetrahydrofuran-2-yl]me…

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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) 2.11 5.36 -15.75 1 6 0 69 302.359 3 ↓
Lo Low (pH 4.5-6) 2.11 5.82 -32.83 2 6 1 70 303.367 3 ↓

Analogs

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Popular Name: 7-bromo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-[[(2S)-tetrahydrofuran…

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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) 2.90 5.94 -13.6 1 6 0 69 381.255 3 ↓

Analogs

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Popular Name: 7-bromo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-[[(2R)-tetrahydrofuran…

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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) 2.90 5.97 -13.56 1 6 0 69 381.255 3 ↓

Analogs

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Popular Name: 7-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-methyl-2-[[(2S)-tetrahydrofura…

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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) 2.54 5.99 -15.43 1 6 0 69 316.386 3 ↓
Lo Low (pH 4.5-6) 2.54 6.42 -35.19 2 6 1 70 317.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-methyl-2-[[(2R)-tetrahydrofura…

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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) 2.54 6.03 -15.51 1 6 0 69 316.386 3 ↓
Lo Low (pH 4.5-6) 2.54 6.45 -35.26 2 6 1 70 317.394 3 ↓

Analogs

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Popular Name: 7-chloro-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-[[(2S)-tetrahydrofura…

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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) 2.77 5.84 -13.78 1 6 0 69 336.804 3 ↓

Analogs

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Popular Name: 7-chloro-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-[[(2R)-tetrahydrofura…

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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) 2.77 5.87 -13.78 1 6 0 69 336.804 3 ↓

Analogs

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Popular Name: 8-chloro-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-[[(2S)-tetrahydrofura…

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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) 2.77 5.84 -12.28 1 6 0 69 336.804 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-[[(2R)-tetrahydrofura…

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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) 2.77 5.87 -12.29 1 6 0 69 336.804 3 ↓

Parameters Provided:

ring.id = 391760
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 = 391760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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