UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]ethanone 1-[4-(2,3-dihydro-1,4-benzodioxi…

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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) 1.68 4.94 -17.96 0 4 0 48 261.302 2 ↓

Analogs

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Popular Name: (3S)-N-allyl-6-(2-methylthiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (3S)-N-allyl-6-(2-methylthiazol-…

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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) 1.50 5.76 -16.8 1 5 0 60 316.382 4 ↓

Analogs

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Popular Name: (3R)-N-allyl-6-(2-methylthiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (3R)-N-allyl-6-(2-methylthiazol-…

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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) 1.50 5.76 -16.97 1 5 0 60 316.382 4 ↓

Analogs

16740516
16740516

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Popular Name: N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]amino]-2-oxo-ethyl]-2,2-dimethyl-propanamide N-[2-[[4-(2,3-dihydro-1,4-benzod…

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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) 2.86 5.19 -14.18 2 7 0 90 375.45 5 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazole-2-thiol 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.57 5.08 -46.05 0 3 -1 31 250.324 1 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)thiazol-2-amine 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.02 4.53 -10.98 1 5 0 53 292.36 5 ↓
Lo Low (pH 4.5-6) 2.02 4.88 -30.15 2 5 1 54 293.368 5 ↓

Analogs

32141457
32141457
32146905
32146905
7067024
7067024

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propyl-1,3-thiazol-2-amine 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.91 6.21 -9.35 1 4 0 43 276.361 4 ↓
Lo Low (pH 4.5-6) 2.91 6.56 -29.69 2 4 1 45 277.369 4 ↓

Parameters Provided:

ring.id = 5903
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 = 5903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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