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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-hydroxyethyl)isochromen-1-one 3-(2-hydroxyethyl)isochromen-1-one

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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) 1.60 4 -10.06 1 3 0 50 190.198 2 ↓

Analogs

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Popular Name: 4-iodo-3-(2-methylsulfanylphenyl)isochromen-1-one 4-iodo-3-(2-methylsulfanylphenyl…

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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) 5.13 11.22 -10.37 0 2 0 30 394.233 2 ↓

Analogs

3634305
3634305
3634307
3634307
4540185
4540185
4540186
4540186
12273891
12273891

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Popular Name: propyl 6-methyl-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate propyl 6-methyl-2-{[(1-oxo-1H-is…

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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) 5.02 12.54 -12.77 1 6 0 86 425.506 6 ↓

Analogs

3634305
3634305
3634307
3634307
4540185
4540185
4540186
4540186
12273891
12273891

Draw Identity 99% 90% 80% 70%

Popular Name: propyl 6-methyl-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate propyl 6-methyl-2-{[(1-oxo-1H-is…

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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) 5.02 1.92 -12.77 1 6 0 85 425.506 6 ↓

Analogs

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Popular Name: N,N-dibutyl-1-oxo-1H-isochromene-3-carboxamide N,N-dibutyl-1-oxo-1H-isochromene…

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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) 4.37 10.83 -7.67 0 4 0 51 301.386 7 ↓

Analogs

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Popular Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-1-oxo-1H-isochromene-3-carboxamide N-(3-cyano-4,5,6,7,8,9-hexahydro…

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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 1.97 -11.9 1 5 0 83 378.453 2 ↓

Analogs

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Popular Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-keto-isochromene-3-carboxamide N-(3-carbamoyl-4,5,6,7,8,9-hexah…

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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) 3.66 -2.37 -14.91 3 6 0 102 396.468 3 ↓

Analogs

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Popular Name: N,N-dihexyl-1-oxo-1H-isochromene-3-carboxamide N,N-dihexyl-1-oxo-1H-isochromene…

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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) 6.39 3.56 -7.89 0 4 0 50 357.494 11 ↓

Analogs

4179494
4179494

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Popular Name: N-octyl-1-oxo-1H-isochromene-3-carboxamide N-octyl-1-oxo-1H-isochromene-3-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) 4.71 1.13 -8.42 1 4 0 59 301.386 8 ↓

Analogs

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Popular Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-oxo-4-(p-tolyl)isochromene-3-carboxamide N-[2-[4-(4-methoxyphenyl)piperaz…

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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) 5.10 11.38 -11.75 1 7 0 75 497.595 7 ↓

Analogs

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Popular Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-chloro-1-oxo-3-pheneth 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6…

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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) 4.76 11.53 -25.41 3 8 0 110 542.057 10 ↓

Analogs

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Popular Name: 6,8-dihydroxy-3-[(E,8S)-8-hydroxynon-5-enyl]isochromen-1-one 6,8-dihydroxy-3-[(E,8S)-8-hydrox…

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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) 3.25 4.37 -13.92 3 5 0 91 318.369 7 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)isochromen-1-one 3-(3,4-dimethoxyphenyl)isochrome…

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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) 3.38 8.6 -14.01 0 4 0 49 282.295 3 ↓

Analogs

34604614
34604614
40954787
40954787

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Popular Name: 4-chloro-3-(4-cyclohexylbutoxy)isochromen-1-one 4-chloro-3-(4-cyclohexylbutoxy)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) 6.12 12.89 -5.42 0 3 0 39 334.843 6 ↓

Parameters Provided:

ring.id = 6206
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 = 6206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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