UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36637215
36637215
36637222
36637222
36637225
36637225

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Popular Name: 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-f]pyridazine 3-ethyl-6-pyrrolidin-1-yl-[1,2,4…

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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) 1.55 6.03 -10.68 0 5 0 46 217.276 2 ↓

Analogs

32071408
32071408
32093664
32093664
32071856
32071856

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Popular Name: N-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)ethyl]methanesulfonamide N-[2-(6-pyrrolidin-1-yl-[1,2,4]t…

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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) 0.33 3.43 -19.3 1 8 0 92 310.383 5 ↓

Analogs

32071408
32071408

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Popular Name: N-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)ethyl]ethanesulfonamide N-[2-(6-pyrrolidin-1-yl-[1,2,4]t…

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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) 0.70 4.31 -18.71 1 8 0 92 324.41 6 ↓

Analogs

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Popular Name: (2R)-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrrolidine-2-carboxylic (2R)-1-(3-methyl-[1,2,4]triazolo…

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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) -1.25 7.85 -44.91 1 7 0 88 247.258 2 ↓
Mid Mid (pH 6-8) -1.25 7.45 -58.69 0 7 -1 86 246.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrrolidine-2-carboxylic (2S)-1-(3-methyl-[1,2,4]triazolo…

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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) -1.25 7.8 -41.39 1 7 0 88 247.258 2 ↓
Mid Mid (pH 6-8) -1.25 7.34 -57.76 0 7 -1 86 246.25 2 ↓

Analogs

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Popular Name: (3S)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]pyrrolidine-3-carboxamide (3S)-1-[3-(trifluoromethyl)-[1,2…

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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) 0.72 3.55 -21.69 2 7 0 89 300.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]pyrrolidine-3-carboxamide (3R)-1-[3-(trifluoromethyl)-[1,2…

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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) 0.72 3.52 -23.07 2 7 0 89 300.244 3 ↓

Parameters Provided:

ring.id = 12315
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 = 12315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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