UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-methyl-1-[(2-methylthiazol-4-yl)methyl]-2-oxo-pyridine-3-carboxylic 6-methyl-1-[(2-methylthiazol-4-y…

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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) 0.49 7.17 -66.41 0 5 -1 75 263.298 3 ↓

Analogs

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Popular Name: 6-methyl-2-oxo-1-(thiazol-4-ylmethyl)pyridine-3-carboxylic 6-methyl-2-oxo-1-(thiazol-4-ylme…

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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) 0.77 6.46 -66.11 0 5 -1 75 249.271 3 ↓

Analogs

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Popular Name: 1-[(2-isopropylthiazol-4-yl)methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 1-[(2-isopropylthiazol-4-yl)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) 1.54 8.54 -65.73 0 5 -1 75 291.352 4 ↓

Analogs

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Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 1-[(2-ethylthiazol-4-yl)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) 1.06 7.85 -66.26 0 5 -1 75 277.325 4 ↓

Analogs

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Popular Name: 6-methyl-2-oxo-1-[(2-propylthiazol-4-yl)methyl]pyridine-3-carboxylic 6-methyl-2-oxo-1-[(2-propylthiaz…

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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) 1.56 8.62 -65.9 0 5 -1 75 291.352 5 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[(2-methylthiazol-4-yl)methyl]-2-oxo-pyridine-3-carboxylic 4,6-dimethyl-1-[(2-methylthiazol…

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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) 1.25 7.74 -66.63 0 5 -1 75 277.325 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-oxo-1-(thiazol-4-ylmethyl)pyridine-3-carboxylic 4,6-dimethyl-2-oxo-1-(thiazol-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) 1.53 7.03 -66.25 0 5 -1 75 263.298 3 ↓

Analogs

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Popular Name: 1-[(2-isopropylthiazol-4-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[(2-isopropylthiazol-4-yl)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) 2.31 9.11 -65.92 0 5 -1 75 305.379 4 ↓

Analogs

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Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[(2-ethylthiazol-4-yl)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) 1.82 8.41 -66.86 0 5 -1 75 291.352 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-oxo-1-[(2-propylthiazol-4-yl)methyl]pyridine-3-carboxylic 4,6-dimethyl-2-oxo-1-[(2-propylt…

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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) 2.32 9.19 -66.5 0 5 -1 75 305.379 5 ↓

Analogs

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Popular Name: 4-[(3-methyl-2-oxo-1-pyridyl)methyl]thiazole-2-carboxylic 4-[(3-methyl-2-oxo-1-pyridyl)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) 0.79 5.5 -46.28 0 5 -1 75 249.271 3 ↓

Analogs

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Popular Name: 1-[(2-aminothiazol-4-yl)methyl]-3-methyl-pyridin-2-one 1-[(2-aminothiazol-4-yl)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) 1.10 3.98 -10.48 2 4 0 61 221.285 2 ↓
Lo Low (pH 4.5-6) 1.10 4.5 -35.42 3 4 1 62 222.293 2 ↓

Analogs

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Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-6-oxo-pyridine-3-carboxylic 1-[(2-ethylthiazol-4-yl)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) 1.22 6.32 -47.28 0 5 -1 75 263.298 4 ↓

Analogs

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Popular Name: 6-oxo-1-[(2-propylthiazol-4-yl)methyl]pyridine-3-carboxylic 6-oxo-1-[(2-propylthiazol-4-yl)m…

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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) 1.73 7.09 -47.21 0 5 -1 75 277.325 5 ↓

Analogs

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Popular Name: 6-oxo-1-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-1,6-dihydropyridine-3-carboxylic acid 6-oxo-1-{[2-(propan-2-yl)-1,3-th…

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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) 1.71 6.93 -47.18 0 5 -1 75 277.325 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 216990 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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