UCSF
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Analogs

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Popular Name: 4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)thiazole-5-carbaldehyde 4-cyclopropyl-2-(4-methyl-2,3-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) 3.32 9.48 -10.77 0 4 0 36 299.399 3 ↓
Mid Mid (pH 6-8) 3.32 10.11 -45.02 1 4 1 38 300.407 3 ↓

Analogs

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Popular Name: [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)thiazol-5-yl]methanamine [4-cyclopropyl-2-(4-methyl-2,3-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) 2.72 7.79 -51.82 3 4 1 47 301.439 3 ↓
Hi High (pH 8-9.5) 2.72 7.4 -8.37 2 4 0 45 300.431 3 ↓
Mid Mid (pH 6-8) 2.72 8.42 -94.86 4 4 2 48 302.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)thiazol-5-yl]methanol [4-cyclopropyl-2-(4-methyl-2,3-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) 2.87 7.08 -10.44 1 4 0 40 301.415 3 ↓
Mid Mid (pH 6-8) 2.87 7.71 -42.49 2 4 1 41 302.423 3 ↓

Parameters Provided:

ring.id = 305251
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 = 305251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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