UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [6-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]pyridazin-3-yl]methanol [6-[4-(pyrrolidin-1-ylmethyl)-1-…

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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 5.71 -43.1 2 5 1 54 277.392 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]pyridazine 3-(chloromethyl)-6-[4-(pyrrolidi…

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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 9.48 -43.51 1 4 1 33 295.838 4 ↓

Analogs

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Popular Name: N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]pyridazin-3-yl]methanamine N-methyl-1-[6-[4-(pyrrolidin-1-y…

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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) 1.47 8.12 -85.58 3 5 2 50 291.443 5 ↓
Mid Mid (pH 6-8) 1.47 6.67 -41.96 2 5 1 45 290.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]pyridazin-3-yl]methanamine [6-[4-(pyrrolidin-1-ylmethyl)-1-…

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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) 1.09 6.25 -90.66 4 5 2 61 277.416 4 ↓
Mid Mid (pH 6-8) 1.09 5.85 -44 3 5 1 59 276.408 4 ↓

Analogs

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Popular Name: 6-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]pyridazine-3-carboxylic 6-[4-(pyrrolidin-1-ylmethyl)-1-p…

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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) 1.48 8.82 -80.59 1 6 0 74 290.367 4 ↓

Parameters Provided:

ring.id = 15119
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 = 15119 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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