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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N5-ethyl-2-methyl-N5-(2-thienylmethyl)-1,3-benzothiazole-5,6-diamine N5-ethyl-2-methyl-N5-(2-thienylm…

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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) 3.25 7.9 -6.06 2 3 0 42 303.456 4 ↓

Analogs

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Popular Name: N5-ethyl-N5-(2-thienylmethyl)-1,3-benzothiazole-4,5-diamine N5-ethyl-N5-(2-thienylmethyl)-1,…

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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) 3.53 7.25 -5.21 2 3 0 42 289.429 4 ↓

Analogs

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Popular Name: N5-[(5-chloro-2-thienyl)methyl]-N5,2-dimethyl-1,3-benzothiazole-5,6-diamine N5-[(5-chloro-2-thienyl)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) 3.67 7.57 -9.85 2 3 0 42 323.874 3 ↓

Analogs

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Popular Name: N5-[(5-chloro-2-thienyl)methyl]-N5-methyl-1,3-benzothiazole-4,5-diamine N5-[(5-chloro-2-thienyl)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) 3.96 6.93 -5.33 2 3 0 42 309.847 3 ↓

Analogs

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Popular Name: 2-methyl-N5-[(1S)-1-(2-thienyl)propyl]-1,3-benzothiazole-5,6-diamine 2-methyl-N5-[(1S)-1-(2-thienyl)p…

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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) 3.69 5.59 -7.34 3 3 0 51 303.456 4 ↓

Analogs

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Popular Name: 2-methyl-N5-[(1R)-1-(2-thienyl)propyl]-1,3-benzothiazole-5,6-diamine 2-methyl-N5-[(1R)-1-(2-thienyl)p…

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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) 3.69 6.1 -8.91 3 3 0 51 303.456 4 ↓

Analogs

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Popular Name: N5-[(1S)-1-(2-thienyl)propyl]-1,3-benzothiazole-4,5-diamine N5-[(1S)-1-(2-thienyl)propyl]-1,…

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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) 3.98 4.91 -6.8 3 3 0 51 289.429 4 ↓

Analogs

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Popular Name: N5-[(1R)-1-(2-thienyl)propyl]-1,3-benzothiazole-4,5-diamine N5-[(1R)-1-(2-thienyl)propyl]-1,…

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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) 3.98 5.42 -6.87 3 3 0 51 289.429 4 ↓

Analogs

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Popular Name: 4-nitro-N-[(1S)-1-(2-thienyl)propyl]-1,3-benzothiazol-5-amine 4-nitro-N-[(1S)-1-(2-thienyl)pro…

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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) 4.45 8.22 -15.28 1 5 0 71 319.411 5 ↓

Analogs

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Popular Name: 4-nitro-N-[(1R)-1-(2-thienyl)propyl]-1,3-benzothiazol-5-amine 4-nitro-N-[(1R)-1-(2-thienyl)pro…

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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) 4.45 8.17 -14.88 1 5 0 71 319.411 5 ↓

Analogs

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Popular Name: 2-methyl-N5-[(1S)-1-(2-thienyl)butyl]-1,3-benzothiazole-5,6-diamine 2-methyl-N5-[(1S)-1-(2-thienyl)b…

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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) 4.25 6.9 -8.76 3 3 0 51 317.483 5 ↓

Analogs

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Popular Name: 2-methyl-N5-[(1R)-1-(2-thienyl)butyl]-1,3-benzothiazole-5,6-diamine 2-methyl-N5-[(1R)-1-(2-thienyl)b…

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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) 4.25 6.9 -8.77 3 3 0 51 317.483 5 ↓

Analogs

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Popular Name: N5-[(1S)-1-(2-thienyl)butyl]-1,3-benzothiazole-4,5-diamine N5-[(1S)-1-(2-thienyl)butyl]-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) 4.53 6.22 -6.87 3 3 0 51 303.456 5 ↓

Analogs

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Popular Name: N5-[(1R)-1-(2-thienyl)butyl]-1,3-benzothiazole-4,5-diamine N5-[(1R)-1-(2-thienyl)butyl]-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) 4.53 6.22 -6.92 3 3 0 51 303.456 5 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-4-nitro-1,3-benzothiazol-5-amine N-[(5-bromo-2-thienyl)methyl]-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) 4.32 7.35 -16.16 1 5 0 71 370.253 4 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-methyl-6-nitro-1,3-benzothiazol-5-amine N-[(5-bromo-2-thienyl)methyl]-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) 4.04 8.04 -7.71 1 5 0 71 384.28 4 ↓

Analogs

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Popular Name: 2-methyl-N5-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,3-benzothiazole-5,6-diamine 2-methyl-N5-[(1R)-2-methyl-1-(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) 3.93 6.6 -8.75 3 3 0 51 317.483 4 ↓

Analogs

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Popular Name: 2-methyl-N5-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,3-benzothiazole-5,6-diamine 2-methyl-N5-[(1S)-2-methyl-1-(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) 3.93 6.67 -8.68 3 3 0 51 317.483 4 ↓

Analogs

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Popular Name: N5-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,3-benzothiazole-4,5-diamine N5-[(1S)-2-methyl-1-(2-thienyl)p…

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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) 4.22 5.78 -6.49 3 3 0 51 303.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,3-benzothiazole-4,5-diamine N5-[(1R)-2-methyl-1-(2-thienyl)p…

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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) 4.22 5.98 -6.6 3 3 0 51 303.456 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 542685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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