UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34350015
34350015

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-hydroxy-benzamide N-(4,5-dihydrothiazol-2-yl)-2-hy…

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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) 1.92 -4.25 -11.11 2 4 0 62 222.269 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2,4-difluoro-benzamide N-(4,5-dihydrothiazol-2-yl)-2,4-…

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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) 1.68 3.86 -13.31 1 3 0 41 242.25 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-4-(isopropylsulfamoyl)benzamide N-(4,5-dihydrothiazol-2-yl)-4-(i…

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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) 1.17 1.88 -15.74 2 6 0 88 327.431 5 ↓

Analogs

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Popular Name: 2-chloro-N-(4,5-dihydrothiazol-2-yl)-5-(isopropylsulfamoyl)benzamide 2-chloro-N-(4,5-dihydrothiazol-2…

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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) 1.78 2.39 -15.01 2 6 0 88 361.876 5 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-3-(isopropylsulfamoyl)-4-methoxy-benzamide N-(4,5-dihydrothiazol-2-yl)-3-(i…

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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) 1.15 1.74 -21.95 2 7 0 97 357.457 6 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-4-[[ethyl(isopropyl)amino]methyl]benzamide N-(4,5-dihydrothiazol-2-yl)-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) 2.28 7.37 -44.91 2 4 1 46 306.455 6 ↓

Analogs

5171840
5171840

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Popular Name: 3-chloro-N-(4,5-dihydrothiazol-2-yl)-4-methoxy-benzamide 3-chloro-N-(4,5-dihydrothiazol-2…

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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) 2.09 -3.07 -11.45 1 4 0 50 270.741 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-3-(dimethylsulfamoyl)-4,5-dimethyl-benzamide N-(4,5-dihydrothiazol-2-yl)-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) 1.50 3.3 -19.95 1 6 0 79 341.458 4 ↓

Analogs

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Popular Name: 4-bromo-N-(4,5-dihydrothiazol-2-yl)-2-isopropoxy-benzamide 4-bromo-N-(4,5-dihydrothiazol-2-…

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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) 3.51 6.96 -12.72 1 4 0 51 343.246 4 ↓
Hi High (pH 8-9.5) 3.03 4.79 -46.99 0 4 -1 57 342.238 4 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-4-[ethyl(methyl)amino]benzamide N-(4,5-dihydrothiazol-2-yl)-4-[e…

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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) 1.91 5.67 -12.03 1 4 0 45 263.366 4 ↓
Hi High (pH 8-9.5) 1.98 4.04 -49.85 0 4 -1 51 262.358 4 ↓

Analogs

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Popular Name: 4-chloro-N-(4,5-dihydrothiazol-2-yl)-2-methoxy-benzamide 4-chloro-N-(4,5-dihydrothiazol-2…

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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) 2.64 5.33 -13.04 1 4 0 51 270.741 3 ↓
Hi High (pH 8-9.5) 2.16 3.13 -46.67 0 4 -1 57 269.733 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-methyl-5-nitro-benzamide N-(4,5-dihydrothiazol-2-yl)-2-me…

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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) 1.76 5.66 -10.87 1 6 0 87 265.294 3 ↓
Hi High (pH 8-9.5) 1.83 4.97 -46.41 0 6 -1 94 264.286 3 ↓

Analogs

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Popular Name: 4-bromo-N-(4,5-dihydrothiazol-2-yl)-3-fluoro-benzamide 4-bromo-N-(4,5-dihydrothiazol-2-…

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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) 2.33 4.96 -9.27 1 3 0 41 303.156 2 ↓
Hi High (pH 8-9.5) 2.40 3.36 -39.89 0 3 -1 48 302.148 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide N-(4,5-dihydrothiazol-2-yl)-4-fl…

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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) 2.42 5.35 -13.35 1 3 0 41 292.257 3 ↓
Hi High (pH 8-9.5) 2.48 3.75 -40.2 0 3 -1 48 291.249 3 ↓

Parameters Provided:

ring.id = 80759
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 = 80759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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