UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-chlorothiadiazol-4-yl)meth…

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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) 2.63 4.68 -6.27 2 4 0 55 280.784 2 ↓
Lo Low (pH 4.5-6) 2.63 4.85 -27.87 3 4 1 56 281.792 2 ↓

Analogs

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Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-chlorothiadiazol-4-yl…

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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) 1.93 4.05 -52.01 3 4 1 57 281.792 2 ↓
Hi High (pH 8-9.5) 1.93 3.73 -5.57 2 4 0 55 280.784 2 ↓

Analogs

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Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-chlorothiadiazol-4-yl…

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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) 1.93 3.78 -45.44 3 4 1 57 281.792 2 ↓
Hi High (pH 8-9.5) 1.93 3.46 -4.8 2 4 0 55 280.784 2 ↓

Analogs

25510767
25510767

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Popular Name: 5-chloro-4-[(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole 5-chloro-4-[(6,8-difluoro-3,4-di…

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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) 3.81 6.91 -6.78 0 3 0 29 301.749 2 ↓

Analogs

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Popular Name: 5-chloro-4-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]thiadiazole 5-chloro-4-[[(4R)-4-methyl-3,4-d…

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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) 3.66 7.42 -5.44 0 3 0 29 279.796 2 ↓

Analogs

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Popular Name: 5-chloro-4-[[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]thiadiazole 5-chloro-4-[[(4S)-4-methyl-3,4-d…

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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) 3.66 7.21 -5.6 0 3 0 29 279.796 2 ↓

Parameters Provided:

ring.id = 161853
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 = 161853 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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