UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-5-chloro-thiadiazole 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 3.26 7.03 -34.55 1 3 1 30 272.825 2 ↓
Hi High (pH 8-9.5) 3.26 4.82 -3.34 0 3 0 29 271.817 2 ↓

Analogs

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Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)thiadiazol-5-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 2.06 4.61 -40.81 3 4 1 56 253.395 2 ↓
Hi High (pH 8-9.5) 2.06 2.37 -7.81 2 4 0 55 252.387 2 ↓

Analogs

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Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-thiadiazol-5-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 2.44 5.85 -39.5 2 4 1 42 267.422 3 ↓
Hi High (pH 8-9.5) 2.44 3.58 -7.27 1 4 0 41 266.414 3 ↓

Analogs

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Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-thiadiazol-5-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 2.82 6.68 -38.54 2 4 1 42 281.449 4 ↓
Hi High (pH 8-9.5) 2.82 4.41 -6.44 1 4 0 41 280.441 4 ↓

Analogs

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Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-N-propyl-thiadiazol-5-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 3.32 7.44 -38.85 2 4 1 42 295.476 5 ↓
Hi High (pH 8-9.5) 3.32 5.17 -6.16 1 4 0 41 294.468 5 ↓

Analogs

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Popular Name: [4-(8-azaspiro[4.5]decan-8-ylmethyl)thiadiazol-5-yl]hydrazine [4-(8-azaspiro[4.5]decan-8-ylmet…

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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) 1.82 4.37 -40.8 4 5 1 68 268.41 3 ↓
Hi High (pH 8-9.5) 1.82 2.14 -8.06 3 5 0 67 267.402 3 ↓
Lo Low (pH 4.5-6) 1.82 4.19 -122.39 5 5 2 70 269.418 3 ↓

Parameters Provided:

ring.id = 318102
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 = 318102 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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