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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: (2R)-N-[(1S)-1-cyclopropylethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2R)-N-[(1S)-1-cyclopropylethyl]…

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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 5.18 -19.64 2 6 0 88 363.483 8 ↓
Hi High (pH 8-9.5) 2.28 4.24 -48.01 1 6 -1 90 362.475 8 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-cyclopropylethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2S)-N-[(1S)-1-cyclopropylethyl]…

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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 5.18 -19.65 2 6 0 88 363.483 8 ↓
Hi High (pH 8-9.5) 2.28 4.24 -47.93 1 6 -1 90 362.475 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-cyclopropylethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2R)-N-[(1R)-1-cyclopropylethyl]…

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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 5.16 -19.74 2 6 0 88 363.483 8 ↓
Hi High (pH 8-9.5) 2.28 4.22 -48.1 1 6 -1 90 362.475 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-cyclopropylethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2S)-N-[(1R)-1-cyclopropylethyl]…

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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 5.23 -19.66 2 6 0 88 363.483 8 ↓
Hi High (pH 8-9.5) 2.28 4.29 -48.01 1 6 -1 90 362.475 8 ↓

Analogs

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Popular Name: (2R)-N-(cyclopropylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-ethyl-4-methyl-pentanamide (2R)-N-(cyclopropylmethyl)-2-[(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) 2.28 7.03 -16.03 1 6 0 79 377.51 8 ↓
Hi High (pH 8-9.5) 2.28 6.6 -44.66 0 6 -1 81 376.502 8 ↓

Analogs

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Popular Name: (2S)-N-(cyclopropylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-ethyl-4-methyl-pentanamide (2S)-N-(cyclopropylmethyl)-2-[(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) 2.28 7.07 -16.36 1 6 0 79 377.51 8 ↓
Hi High (pH 8-9.5) 2.28 6.15 -45.91 0 6 -1 81 376.502 8 ↓

Analogs

41958151
41958151

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Popular Name: (2R)-N-(cyclopropylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-propyl-propanamide (2R)-N-(cyclopropylmethyl)-2-[(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) 1.47 5.78 -16.41 1 6 0 79 349.456 7 ↓

Analogs

41958148
41958148

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Popular Name: (2S)-N-(cyclopropylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-propyl-propanamide (2S)-N-(cyclopropylmethyl)-2-[(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) 1.47 5.89 -16.87 1 6 0 79 349.456 7 ↓

Parameters Provided:

ring.id = 136192
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 = 136192 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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