UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-amino-1,3-benzothiazol-5-yl)-N-methyl-piperidine-4-carboxamide 1-(4-amino-1,3-benzothiazol-5-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) 1.74 3.44 -11.89 3 5 0 71 290.392 2 ↓

Analogs

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Popular Name: 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methyl-piperidine-4-carboxamide 1-(6-amino-2-methyl-1,3-benzothi…

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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) 1.45 4.09 -11.85 3 5 0 71 304.419 2 ↓

Analogs

44514740
44514740

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Popular Name: 1-(4-nitro-1,3-benzothiazol-5-yl)piperidin-4-amine 1-(4-nitro-1,3-benzothiazol-5-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) 1.60 4.73 -48.45 3 6 1 90 279.345 2 ↓

Analogs

44514724
44514724
6250370
6250370

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Popular Name: 1-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)piperidin-4-amine 1-(2-methyl-6-nitro-1,3-benzothi…

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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) 1.32 5.95 -49.64 3 6 1 90 293.372 2 ↓

Analogs

42446556
42446556

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)-1,3-benzothiazol-4-amine 5-(4-ethyl-4-methyl-1-piperidyl)…

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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) 3.76 6.63 -4.41 2 3 0 42 275.421 2 ↓
Lo Low (pH 4.5-6) 3.76 6.77 -34.33 3 3 1 43 276.429 2 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)-2-methyl-1,3-benzothiazol-6-amine 5-(4-ethyl-4-methyl-1-piperidyl)…

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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) 3.47 7.27 -5.94 2 3 0 42 289.448 2 ↓
Lo Low (pH 4.5-6) 3.47 7.41 -34.63 3 3 1 43 290.456 2 ↓

Analogs

42446556
42446556

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Popular Name: 5-(4,4-diethyl-1-piperidyl)-1,3-benzothiazol-4-amine 5-(4,4-diethyl-1-piperidyl)-1,3-…

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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) 4.09 7.13 -4.25 2 3 0 42 289.448 3 ↓
Lo Low (pH 4.5-6) 4.09 7.27 -34.82 3 3 1 43 290.456 3 ↓

Analogs

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Popular Name: 2-[1-(4-nitro-1,3-benzothiazol-5-yl)-4-piperidyl]ethanamine 2-[1-(4-nitro-1,3-benzothiazol-5…

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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) 2.37 6.11 -51.04 3 6 1 90 307.399 4 ↓

Analogs

42432182
42432182

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Popular Name: [(2R)-1-(4-amino-1,3-benzothiazol-5-yl)-2-piperidyl]methanol [(2R)-1-(4-amino-1,3-benzothiazo…

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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) 2.12 2.87 -4.83 3 4 0 62 263.366 2 ↓

Analogs

42432181
42432181

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Popular Name: [(2S)-1-(4-amino-1,3-benzothiazol-5-yl)-2-piperidyl]methanol [(2S)-1-(4-amino-1,3-benzothiazo…

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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) 2.12 2.53 -5.17 3 4 0 62 263.366 2 ↓

Analogs

50346889
50346889
61819259
61819259
62953262
62953262
62953406
62953406
35344083
35344083

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Popular Name: 5-(4-ethyl-1-piperidyl)-1,3-benzothiazol-4-amine 5-(4-ethyl-1-piperidyl)-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) 3.70 6.52 -4.49 2 3 0 42 261.394 2 ↓

Parameters Provided:

ring.id = 64405
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 = 64405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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