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

23786361
23786361
43739864
43739864

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Popular Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-3-(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-pr N-[(3-fluoro-4-methyl-phenyl)met…

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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) 2.92 -0.7 -11.34 1 4 0 49 358.438 5 ↓

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3R)-3-(4-chlorophenyl)-3-[3-(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) 1.86 8.98 -55.56 1 6 -1 90 417.894 7 ↓

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3S)-3-(4-chlorophenyl)-3-[3-(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) 1.86 9.72 -54.49 1 6 -1 90 417.894 7 ↓

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-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) 0.83 7.62 -61 1 8 -1 108 443.501 9 ↓

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-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) 0.83 7.67 -61.53 1 8 -1 108 443.501 9 ↓

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3R)-3-(4-fluorophenyl)-3-[3-(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) 1.35 8.53 -55.65 1 6 -1 90 401.439 7 ↓

Analogs

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Popular Name: (3S)-3-(4-fluorophenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3S)-3-(4-fluorophenyl)-3-[3-(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) 1.35 9.27 -54.54 1 6 -1 90 401.439 7 ↓

Analogs

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Popular Name: (3R)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-(p-tolyl)propanoic (3R)-3-[3-(3-oxo-1,4-benzothiazi…

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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) 1.63 9.14 -58.97 1 6 -1 90 397.476 7 ↓

Analogs

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Popular Name: (3S)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-(p-tolyl)propanoic (3S)-3-[3-(3-oxo-1,4-benzothiazi…

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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) 1.63 9.88 -57.41 1 6 -1 90 397.476 7 ↓

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3R)-3-(2-chlorophenyl)-3-[3-(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) 1.81 9.32 -48.69 1 6 -1 90 417.894 7 ↓

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3S)-3-(2-chlorophenyl)-3-[3-(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) 1.81 9.78 -60.32 1 6 -1 90 417.894 7 ↓

Analogs

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Popular Name: 4-[[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]methyl]benzoic 4-[[3-(3-oxo-1,4-benzothiazin-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) 2.29 7.68 -56.13 1 6 -1 90 369.422 6 ↓

Analogs

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Popular Name: (3R)-3-(4-methoxyphenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3R)-3-(4-methoxyphenyl)-3-[3-(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) 1.24 7.76 -59.34 1 7 -1 99 413.475 8 ↓

Analogs

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Popular Name: (3S)-3-(4-methoxyphenyl)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]propanoic (3S)-3-(4-methoxyphenyl)-3-[3-(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) 1.24 8.5 -57.46 1 7 -1 99 413.475 8 ↓

Analogs

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Popular Name: (3R)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-phenyl-propanoic (3R)-3-[3-(3-oxo-1,4-benzothiazi…

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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) 1.18 8.46 -58.58 1 6 -1 90 383.449 7 ↓

Analogs

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Popular Name: (3S)-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-phenyl-propanoic (3S)-3-[3-(3-oxo-1,4-benzothiazi…

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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) 1.18 8.42 -59.05 1 6 -1 90 383.449 7 ↓

Parameters Provided:

ring.id = 6310
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 = 6310 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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