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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

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenes N-[2-[6-[[(2S)-tetrahydrofuran-2…

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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) 1.59 4.86 -18.42 2 9 0 111 402.48 8 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenes N-[2-[6-[[(2R)-tetrahydrofuran-2…

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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) 1.59 4.9 -17.95 2 9 0 111 402.48 8 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 4-fluoro-N-[2-[6-[[(2S)-tetrahyd…

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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) 1.75 4.93 -17.61 2 9 0 111 420.47 8 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 4-fluoro-N-[2-[6-[[(2R)-tetrahyd…

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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) 1.75 4.97 -17.34 2 9 0 111 420.47 8 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 3-methyl-N-[2-[6-[[(2S)-tetrahyd…

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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) 2.01 5.53 -18.35 2 9 0 111 416.507 8 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 3-methyl-N-[2-[6-[[(2R)-tetrahyd…

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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) 2.01 5.58 -17.87 2 9 0 111 416.507 8 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethy 2-methoxy-N-[2-[6-[[(2S)-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) 1.60 4.67 -19.38 2 10 0 120 432.506 9 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethy 2-methoxy-N-[2-[6-[[(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) 1.60 4.71 -18.8 2 10 0 120 432.506 9 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 4-methyl-N-[2-[6-[[(2S)-tetrahyd…

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) 2.04 5.54 -18.33 2 9 0 111 416.507 8 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 4-methyl-N-[2-[6-[[(2R)-tetrahyd…

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) 2.04 5.59 -17.88 2 9 0 111 416.507 8 ↓

Parameters Provided:

ring.id = 102693
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 = 102693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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