UCSF
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Analogs

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Popular Name: 1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-[(5-chlorothiadiazol-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) 1.24 2.71 -36.13 1 5 1 43 277.801 4 ↓
Hi High (pH 8-9.5) 1.24 0.25 -4.94 0 5 0 41 276.793 4 ↓

Analogs

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Popular Name: 1-[(2S)-4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(5-chlorothiadiazol-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) 1.24 2.44 -35.12 1 5 1 43 277.801 4 ↓
Hi High (pH 8-9.5) 1.24 -0.08 -5.22 0 5 0 41 276.793 4 ↓

Analogs

35248624
35248624
35248625
35248625
36820291
36820291
36820292
36820292
35221405
35221405

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Popular Name: 4-[(5-chlorothiadiazol-4-yl)methyl]-3,3-dimethyl-morpholine 4-[(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) 2.03 1.25 -4.24 0 4 0 38 247.751 2 ↓
Lo Low (pH 4.5-6) 2.03 3.34 -30.18 1 4 1 39 248.759 2 ↓

Parameters Provided:

ring.id = 509429
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 = 509429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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