UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-Methoxyphenyl)-4-methylisothiazol-5-amine 3-(4-Methoxyphenyl)-4-methylisot…

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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) 2.78 3.29 -7.14 2 3 0 48 220.297 2 ↓

Analogs

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Popular Name: 3-(3-methylphenyl)-1,2-thiazole-5-carboxylic acid 3-(3-methylphenyl)-1,2-thiazole-…

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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) 2.97 6.92 -42.81 0 3 -1 53 218.257 2 ↓

Analogs

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Popular Name: 4-amino-N-isobutyl-3-phenyl-isothiazole-5-carboxamide 4-amino-N-isobutyl-3-phenyl-isot…

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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) 2.70 4.44 -6.46 3 4 0 68 275.377 4 ↓

Analogs

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Popular Name: 4-amino-N-ethyl-3-(4-fluorophenyl)isothiazole-5-carboxamide 4-amino-N-ethyl-3-(4-fluoropheny…

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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 3 -6.35 3 4 0 68 265.313 3 ↓

Analogs

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Popular Name: 4-amino-3-(4-fluorophenyl)-N-isobutyl-isothiazole-5-carboxamide 4-amino-3-(4-fluorophenyl)-N-iso…

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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) 2.87 4.51 -5.98 3 4 0 68 293.367 4 ↓

Analogs

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Popular Name: 4-amino-N-isobutyl-3-(3-methoxyphenyl)isothiazole-5-carboxamide 4-amino-N-isobutyl-3-(3-methoxyp…

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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) 2.73 3.74 -8.3 3 5 0 77 305.403 5 ↓

Analogs

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Popular Name: 4-amino-N-ethyl-3-(3-methoxyphenyl)isothiazole-5-carboxamide 4-amino-N-ethyl-3-(3-methoxyphen…

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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) 1.99 2.23 -8.7 3 5 0 77 277.349 4 ↓

Analogs

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Popular Name: 4-Methyl-3-phenylisothiazol-5-amine 4-Methyl-3-phenylisothiazol-5-amine

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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) 2.72 3.99 -6.78 2 2 0 39 190.271 1 ↓

Parameters Provided:

ring.id = 74369
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 = 74369 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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