UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 3.60 7.62 -14.06 1 5 0 68 360.46 7 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide N-(2-acetamidoethyl)-5-(1,3-benz…

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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) 2.65 4.43 -15.27 2 5 0 71 345.449 5 ↓

Analogs

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Popular Name: 5-(1,3-benzothiazol-2-yl)-N-prop-2-ynyl-thiophene-2-carboxamide 5-(1,3-benzothiazol-2-yl)-N-prop…

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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) 3.67 6.56 -11 1 3 0 42 298.392 3 ↓

Analogs

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Popular Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(isopropylamino)-2-oxo-ethyl]thiophene-2-carboxamide 5-(1,3-benzothiazol-2-yl)-N-[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) 3.79 5.39 -12.48 2 5 0 71 359.476 5 ↓

Analogs

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Popular Name: 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide 5-(1,3-benzothiazol-2-yl)-N-[(1R…

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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) 3.82 6.2 -12.39 2 5 0 71 373.503 6 ↓

Analogs

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Popular Name: 5-(1,3-benzothiazol-2-yl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide 5-(1,3-benzothiazol-2-yl)-N-[(1S…

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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) 3.82 6.2 -12.38 2 5 0 71 373.503 6 ↓

Analogs

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Popular Name: 5-(1,3-benzothiazol-2-yl)-N-ethyl-thiophene-2-carboxamide 5-(1,3-benzothiazol-2-yl)-N-ethy…

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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) 3.88 -3.27 -9.93 1 3 0 41 288.397 3 ↓

Analogs

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Popular Name: 5-(1,3-benzothiazol-2-yl)-N-ethoxy-thiophene-2-carboxamide 5-(1,3-benzothiazol-2-yl)-N-etho…

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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) 3.84 7.21 -12.2 1 4 0 51 304.396 4 ↓

Analogs

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Popular Name: 5-(1,3-benzothiazol-2-yl)-N'-(2-ethoxyacetyl)thiophene-2-carbohydrazide 5-(1,3-benzothiazol-2-yl)-N'-(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) 2.95 5.88 -15 2 6 0 80 361.448 6 ↓

Analogs

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Popular Name: 2-(5-methyl-1,3-benzothiazol-2-yl)thiophen-3-amine 2-(5-methyl-1,3-benzothiazol-2-y…

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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) 3.91 5.49 -11.05 2 2 0 39 246.36 1 ↓
Lo Low (pH 4.5-6) 3.91 5.35 -42.89 3 2 1 41 247.368 1 ↓

Analogs

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Popular Name: 2-(5-fluoro-1,3-benzothiazol-2-yl)thiophen-3-amine 2-(5-fluoro-1,3-benzothiazol-2-y…

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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) 3.62 4.89 -10.09 2 2 0 39 250.323 1 ↓
Lo Low (pH 4.5-6) 3.62 4.75 -45.73 3 2 1 41 251.331 1 ↓

Analogs

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Popular Name: 2-(5-bromo-1,3-benzothiazol-2-yl)thiophen-3-amine 2-(5-bromo-1,3-benzothiazol-2-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) 4.27 5.43 -9.46 2 2 0 39 311.229 1 ↓
Lo Low (pH 4.5-6) 4.27 5.29 -44.67 3 2 1 41 312.237 1 ↓

Analogs

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Popular Name: 2-(7-chloro-1,3-benzothiazol-2-yl)thiophen-3-amine 2-(7-chloro-1,3-benzothiazol-2-y…

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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) 4.12 5.67 -9.45 2 2 0 39 266.778 1 ↓
Lo Low (pH 4.5-6) 4.12 5.48 -40.71 3 2 1 41 267.786 1 ↓

Parameters Provided:

ring.id = 30373
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 = 30373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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