UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[(4-methylsulfanylphenyl)me…

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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) 4.50 9.58 -16.96 2 5 0 71 433.558 6 ↓

Analogs

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Popular Name: N-[3-[(4-ethoxyphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[(4-ethoxyphenyl)methylcarb…

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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) 4.50 8.78 -17.25 2 6 0 80 431.517 7 ↓

Analogs

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Popular Name: N-[3-[(3-bromophenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[(3-bromophenyl)methylcarba…

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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) 4.85 9.17 -16.4 2 5 0 71 466.36 5 ↓

Analogs

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Popular Name: N-[5-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[(2-methoxyphenyl)methylcar…

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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) 4.48 8.78 -18.1 2 6 0 80 431.517 6 ↓

Analogs

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Popular Name: N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[(3-methoxyphenyl)methylcar…

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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) 4.50 8.74 -17.44 2 6 0 80 431.517 6 ↓

Analogs

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Popular Name: N-[5-[(2-ethoxyphenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[(2-ethoxyphenyl)methylcarb…

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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) 4.85 9.67 -18.16 2 6 0 80 445.544 7 ↓

Analogs

8599876
8599876

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Popular Name: N-[5-[(4-ethoxy-3-methoxy-phenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[(4-ethoxy-3-methoxy-phenyl…

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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) 4.49 9.52 -19.09 2 7 0 90 475.57 8 ↓

Analogs

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Popular Name: N-[2-methyl-5-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-methyl-5-[(4-methylsulfanyl…

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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) 4.90 10.47 -16.77 2 5 0 71 447.585 6 ↓

Analogs

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Popular Name: N-[5-[(3-bromophenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[(3-bromophenyl)methylcarba…

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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) 5.25 10.06 -16.1 2 5 0 71 480.387 5 ↓

Analogs

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Popular Name: N-[5-[(4-isopropoxyphenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[(4-isopropoxyphenyl)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) 5.26 10.4 -16.98 2 6 0 80 459.571 7 ↓

Parameters Provided:

ring.id = 371621
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 = 371621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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