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Analogs

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Popular Name: 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-phenyl-isothiazole-5-carboxamide 4-amino-N-[(2,5-dimethoxyphenyl)…

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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) 3.02 4.54 -9.16 3 6 0 86 369.446 6 ↓

Analogs

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Popular Name: 4-amino-N-[(2-fluorophenyl)methyl]-3-phenyl-isothiazole-5-carboxamide 4-amino-N-[(2-fluorophenyl)methy…

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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) 3.09 5.95 -8.18 3 4 0 68 327.384 4 ↓

Analogs

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Popular Name: 4-amino-N-benzyl-3-phenyl-isothiazole-5-carboxamide 4-amino-N-benzyl-3-phenyl-isothi…

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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) 2.98 5.93 -6.75 3 4 0 68 309.394 4 ↓

Analogs

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Popular Name: 4-amino-N-[(4-fluorophenyl)methyl]-3-phenyl-isothiazole-5-carboxamide 4-amino-N-[(4-fluorophenyl)methy…

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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) 3.14 6 -7.39 3 4 0 68 327.384 4 ↓

Analogs

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Popular Name: 4-amino-N-[(4-methoxyphenyl)methyl]-3-phenyl-isothiazole-5-carboxamide 4-amino-N-[(4-methoxyphenyl)meth…

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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) 3.04 5.23 -8.07 3 5 0 77 339.42 5 ↓

Analogs

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Popular Name: 4-amino-3-phenyl-N-[(1S)-1-phenylethyl]isothiazole-5-carboxamide 4-amino-3-phenyl-N-[(1S)-1-pheny…

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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) 3.54 6.78 -6.99 3 4 0 68 323.421 4 ↓

Analogs

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Popular Name: 4-amino-3-phenyl-N-[(1R)-1-phenylethyl]isothiazole-5-carboxamide 4-amino-3-phenyl-N-[(1R)-1-pheny…

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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) 3.54 6.78 -7.01 3 4 0 68 323.421 4 ↓

Analogs

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Popular Name: 4-amino-3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]isothiazole-5-carboxamide 4-amino-3-(4-fluorophenyl)-N-[(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) 3.17 5.3 -7.75 3 5 0 77 357.41 5 ↓

Analogs

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Popular Name: 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)isothiazole-5-carboxamide 4-amino-N-[(2,4-dimethoxyphenyl)…

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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) 3.18 4.63 -8.65 3 6 0 86 387.436 6 ↓

Analogs

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Popular Name: 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)isothiazole-5-carboxamide 4-amino-N-[(2,5-dimethoxyphenyl)…

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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) 3.18 4.61 -8.68 3 6 0 86 387.436 6 ↓

Analogs

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Popular Name: 4-amino-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]isothiazole-5-carboxamide 4-amino-3-(4-fluorophenyl)-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) 3.26 6.02 -7.61 3 4 0 68 345.374 4 ↓

Analogs

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Popular Name: 4-amino-3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]isothiazole-5-carboxamide 4-amino-3-(4-fluorophenyl)-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) 3.15 5.34 -7.79 3 5 0 77 357.41 5 ↓

Analogs

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Popular Name: 4-amino-3-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]isothiazole-5-carboxamide 4-amino-3-(4-fluorophenyl)-N-[(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) 3.70 6.85 -6.54 3 4 0 68 341.411 4 ↓

Analogs

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Popular Name: 4-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]isothiazole-5-carboxamide 4-amino-3-(4-fluorophenyl)-N-[(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) 3.70 6.85 -6.51 3 4 0 68 341.411 4 ↓

Analogs

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Popular Name: 4-amino-N-benzyl-3-(4-fluorophenyl)isothiazole-5-carboxamide 4-amino-N-benzyl-3-(4-fluorophen…

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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) 3.14 6 -6.26 3 4 0 68 327.384 4 ↓

Analogs

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Popular Name: 4-amino-N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)isothiazole-5-carboxamide 4-amino-N-[(4-fluorophenyl)methy…

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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) 3.17 5.3 -9.37 3 5 0 77 357.41 5 ↓

Analogs

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Popular Name: 4-amino-N-benzyl-3-(3-methoxyphenyl)isothiazole-5-carboxamide 4-amino-N-benzyl-3-(3-methoxyphe…

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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) 3.01 5.23 -8.66 3 5 0 77 339.42 5 ↓

Analogs

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Popular Name: 4-amino-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]isothiazole-5-carboxamide 4-amino-3-(3-methoxyphenyl)-N-[(…

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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) 3.07 4.53 -10.04 3 6 0 86 369.446 6 ↓

Analogs

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Popular Name: 4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)isothiazole-5-carboxamide 4-amino-N-[(2-fluorophenyl)methy…

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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) 3.13 5.25 -9.94 3 5 0 77 357.41 5 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-3-phenyl-isothiazole-5-carboxamide N-[(4-methoxyphenyl)methyl]-3-ph…

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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 7.01 -8.67 1 4 0 51 324.405 5 ↓

Parameters Provided:

ring.id = 516301
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 = 516301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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