UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-5-(3-methylpyrazol-1-yl)-1,3-benzothiazol-6-amine 2-methyl-5-(3-methylpyrazol-1-yl…

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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) 1.84 4.91 -8.53 2 4 0 57 244.323 1 ↓

Analogs

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Popular Name: 5-(3-methylpyrazol-1-yl)-1,3-benzothiazol-4-amine 5-(3-methylpyrazol-1-yl)-1,3-ben…

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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) 1.92 4.28 -9.19 2 4 0 57 230.296 1 ↓

Analogs

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Popular Name: 5-(3-isopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine 5-(3-isopropylpyrazol-1-yl)-2-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) 2.90 6.18 -8.11 2 4 0 57 272.377 2 ↓

Analogs

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Popular Name: 5-(3-isopropylpyrazol-1-yl)-1,3-benzothiazol-4-amine 5-(3-isopropylpyrazol-1-yl)-1,3-…

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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) 2.97 5.55 -8.82 2 4 0 57 258.35 2 ↓

Analogs

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Popular Name: 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methyl-pyrazole-3-carboxamide 1-(6-amino-2-methyl-1,3-benzothi…

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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) 1.05 2.56 -11.09 3 6 0 86 287.348 2 ↓

Analogs

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Popular Name: 1-(4-amino-1,3-benzothiazol-5-yl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(4-amino-1,3-benzothiazol-5-yl…

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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) 1.37 4.12 -11.8 2 6 0 77 287.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(6-amino-2-methyl-1,3-benzothi…

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Activity (Go SEA)

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) 1.30 4.71 -10.97 2 6 0 77 301.375 2 ↓

Parameters Provided:

ring.id = 28548
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 = 28548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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