UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(5-acetyl-4-methyl-thiazol-2-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) 2.28 7.09 -15.64 1 7 0 99 358.375 4 ↓
Hi High (pH 8-9.5) 2.35 6.49 -39.59 0 7 -1 105 357.367 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.59 7.78 -11.59 1 8 0 108 388.401 6 ↓
Hi High (pH 8-9.5) 2.66 7.17 -35.31 0 8 -1 114 387.393 6 ↓

Analogs

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Popular Name: 2-[(7-methoxy-2-oxo-chromene-4-carbonyl)amino]-N,N,4-trimethyl-thiazole-5-carboxamide 2-[(7-methoxy-2-oxo-chromene-4-c…

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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 6.52 -17.5 1 8 0 102 387.417 4 ↓
Hi High (pH 8-9.5) 1.89 5.75 -44.95 0 8 -1 108 386.409 4 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(4,5-dimethylthiazol-2-yl)-7-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) 2.36 7.2 -13.5 1 6 0 81 330.365 3 ↓

Analogs

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Popular Name: N-(4-tert-butylthiazol-2-yl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(4-tert-butylthiazol-2-yl)-7-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) 3.87 8.17 -9.97 1 6 0 81 358.419 4 ↓

Analogs

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Popular Name: 7-methoxy-2-oxo-N-thiazol-2-yl-chromene-4-carboxamide 7-methoxy-2-oxo-N-thiazol-2-yl-c…

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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 5.86 -13.31 1 6 0 81 302.311 3 ↓

Analogs

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Popular Name: 7-methoxy-N-(4-methylthiazol-2-yl)-2-oxo-chromene-4-carboxamide 7-methoxy-N-(4-methylthiazol-2-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) 2.14 6.14 -10.52 1 6 0 81 316.338 3 ↓

Analogs

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Popular Name: 7-methoxy-N-(5-methylthiazol-2-yl)-2-oxo-chromene-4-carboxamide 7-methoxy-N-(5-methylthiazol-2-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) 2.14 6.69 -13.13 1 6 0 81 316.338 3 ↓

Analogs

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Popular Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(5-acetyl-4-methyl-thiazol-2-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) 3.02 8.66 -15.25 1 7 0 99 386.429 5 ↓
Hi High (pH 8-9.5) 3.09 8.05 -39.07 0 7 -1 105 385.421 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.33 9.36 -11.19 1 8 0 108 416.455 7 ↓
Hi High (pH 8-9.5) 3.40 8.73 -34.89 0 8 -1 114 415.447 7 ↓

Analogs

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Popular Name: 2-[(7-isopropoxy-2-oxo-chromene-4-carbonyl)amino]-N,N,4-trimethyl-thiazole-5-carboxamide 2-[(7-isopropoxy-2-oxo-chromene-…

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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) 2.56 8.02 -17.64 1 8 0 102 415.471 5 ↓
Hi High (pH 8-9.5) 2.63 7.37 -43.63 0 8 -1 108 414.463 5 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(4,5-dimethylthiazol-2-yl)-7-i…

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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) 3.10 8.77 -13 1 6 0 81 358.419 4 ↓

Analogs

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Popular Name: N-(4-tert-butylthiazol-2-yl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(4-tert-butylthiazol-2-yl)-7-i…

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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) 4.60 9.76 -8.91 1 6 0 81 386.473 5 ↓

Analogs

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Popular Name: 7-isopropoxy-2-oxo-N-thiazol-2-yl-chromene-4-carboxamide 7-isopropoxy-2-oxo-N-thiazol-2-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) 2.66 7.43 -12.68 1 6 0 81 330.365 4 ↓

Analogs

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Popular Name: 7-isopropoxy-N-(4-methylthiazol-2-yl)-2-oxo-chromene-4-carboxamide 7-isopropoxy-N-(4-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) 2.88 7.7 -9.41 1 6 0 81 344.392 4 ↓

Analogs

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Popular Name: 7-isopropoxy-N-(5-methylthiazol-2-yl)-2-oxo-chromene-4-carboxamide 7-isopropoxy-N-(5-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) 2.88 8.25 -12.66 1 6 0 81 344.392 4 ↓

Analogs

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Popular Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(5-acetyl-4-methyl-thiazol-2-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) 2.66 8.05 -15.52 1 7 0 99 372.402 5 ↓
Hi High (pH 8-9.5) 2.72 7.42 -39.18 0 7 -1 105 371.394 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.96 8.71 -11.38 1 8 0 108 402.428 7 ↓
Hi High (pH 8-9.5) 3.03 8.09 -35.01 0 8 -1 114 401.42 7 ↓

Analogs

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Popular Name: 2-[(7-ethoxy-2-oxo-chromene-4-carbonyl)amino]-N,N,4-trimethyl-thiazole-5-carboxamide 2-[(7-ethoxy-2-oxo-chromene-4-ca…

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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) 2.19 7.35 -18.04 1 8 0 102 401.444 5 ↓
Hi High (pH 8-9.5) 2.26 6.69 -44.15 0 8 -1 108 400.436 5 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(4,5-dimethylthiazol-2-yl)-7-e…

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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) 2.74 8.12 -13.19 1 6 0 81 344.392 4 ↓

Analogs

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Popular Name: N-(4-tert-butylthiazol-2-yl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(4-tert-butylthiazol-2-yl)-7-e…

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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) 4.24 9.09 -9.71 1 6 0 81 372.446 5 ↓

Analogs

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Popular Name: 7-ethoxy-2-oxo-N-thiazol-2-yl-chromene-4-carboxamide 7-ethoxy-2-oxo-N-thiazol-2-yl-ch…

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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) 2.30 6.79 -13.04 1 6 0 81 316.338 4 ↓

Analogs

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Popular Name: 7-ethoxy-N-(4-methylthiazol-2-yl)-2-oxo-chromene-4-carboxamide 7-ethoxy-N-(4-methylthiazol-2-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) 2.52 7.07 -10.2 1 6 0 81 330.365 4 ↓

Analogs

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Popular Name: 7-ethoxy-N-(5-methylthiazol-2-yl)-2-oxo-chromene-4-carboxamide 7-ethoxy-N-(5-methylthiazol-2-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) 2.52 7.62 -12.78 1 6 0 81 330.365 4 ↓

Parameters Provided:

ring.id = 547330
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 547330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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