UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-methyl-N-[(3-methylisoxazol-5-yl)methyl]pyridazin-3-amine 6-methyl-N-[(3-methylisoxazol-5-…

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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) 0.78 3.53 -13.31 1 5 0 64 204.233 3 ↓
Lo Low (pH 4.5-6) 0.78 3.71 -36.03 2 5 1 65 205.241 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.63 3.5 -14.4 1 7 0 90 248.242 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(3-methylisoxazol-5-yl)methyl]pyridazin-3-amine 6-chloro-N-[(3-methylisoxazol-5-…

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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 3.35 -12.96 1 5 0 64 224.651 3 ↓

Analogs

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Popular Name: N-[(3-methylisoxazol-5-yl)methyl]pyridazin-3-amine N-[(3-methylisoxazol-5-yl)methyl…

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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) 0.53 2.93 -13.16 1 5 0 64 190.206 3 ↓
Mid Mid (pH 6-8) 0.53 3.1 -39.92 2 5 1 65 191.214 3 ↓
Mid Mid (pH 6-8) 0.53 3.11 -37.07 2 5 1 65 191.214 3 ↓

Parameters Provided:

ring.id = 14811
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 = 14811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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