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

6859824
6859824

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Popular Name: 3-fluoro-N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 3-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) 1.85 7.03 -18.36 2 8 0 93 384.415 7 ↓

Analogs

6859824
6859824

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 3-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) 1.85 7.07 -17.83 2 8 0 93 384.415 7 ↓

Analogs

6859824
6859824

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) 1.88 7.03 -19.44 2 8 0 93 384.415 7 ↓

Analogs

6859824
6859824

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) 1.88 7.08 -18.88 2 8 0 93 384.415 7 ↓

Analogs

6859824
6859824

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 3-chloro-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) 2.37 7.49 -18.08 2 8 0 93 400.87 7 ↓

Analogs

6859824
6859824

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 3-chloro-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) 2.37 7.53 -17.59 2 8 0 93 400.87 7 ↓

Analogs

6859824
6859824

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) 2.14 7.63 -20.38 2 8 0 93 380.452 7 ↓

Analogs

6859824
6859824

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) 2.14 7.67 -19.68 2 8 0 93 380.452 7 ↓

Analogs

6859824
6859824

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl 2-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) 1.83 7.04 -24.48 2 8 0 93 384.415 7 ↓

Analogs

6859824
6859824

Draw Identity 99% 90% 80% 70%

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

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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) 1.83 7.08 -23.58 2 8 0 93 384.415 7 ↓

Parameters Provided:

ring.id = 100908
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 = 100908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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