UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442669
12442669
20648057
20648057

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Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2E)-8-[2-(4-fluorophenyl)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) 4.02 10.32 -12.83 0 5 0 56 416.452 4 ↓
Lo Low (pH 4.5-6) 4.02 13.17 -56.89 1 5 1 57 417.46 4 ↓

Analogs

12442669
12442669
13692667
13692667

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Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]ben (2E)-8-[2-(3,4-dimethoxyphenyl)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) 3.50 9.45 -15.85 0 7 0 74 458.514 6 ↓
Lo Low (pH 4.5-6) 3.50 12.3 -58.71 1 7 1 75 459.522 6 ↓

Analogs

12442669
12442669
28541897
28541897
12442667
12442667

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Popular Name: (2E)-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2E)-8-[2-(4-methoxyphenyl)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) 3.91 9.55 -13.07 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.91 12.41 -54.38 1 6 1 66 429.496 5 ↓

Analogs

12442669
12442669
13691429
13691429

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2E)-8-[2-(4-chlorophenyl)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) 4.54 10.77 -12.08 0 5 0 56 432.907 4 ↓
Lo Low (pH 4.5-6) 4.54 13.63 -55.57 1 5 1 57 433.915 4 ↓

Analogs

12442669
12442669
13691429
13691429

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Popular Name: (2E)-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benz (2E)-8-[2-(2,4-dichlorophenyl)et…

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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) 5.14 11.16 -12.52 0 5 0 56 467.352 4 ↓

Analogs

12442669
12442669
13691429
13691429

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Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-[2-(2-chlorophenyl)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) 4.49 10.06 -12.12 0 5 0 56 432.907 4 ↓
Lo Low (pH 4.5-6) 4.49 12.91 -46.93 1 5 1 57 433.915 4 ↓

Analogs

12442669
12442669
28541897
28541897
12442667
12442667

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Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[2-(2-methoxyphenyl)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) 3.87 9.01 -12.73 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.87 11.86 -46.1 1 6 1 66 429.496 5 ↓

Analogs

20648057
20648057
8993131
8993131
8993096
8993096

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Popular Name: (2Z)-8-[2-(4-fluorophenyl)ethyl]-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[2-(4-fluorophenyl)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) 3.64 9.06 -12.34 0 5 0 56 402.425 4 ↓
Lo Low (pH 4.5-6) 3.64 11.92 -54.56 1 5 1 57 403.433 4 ↓

Analogs

13692667
13692667
13728434
13728434

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Popular Name: (2Z)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-[2-(3,4-dimethoxyphenyl)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) 3.13 8.19 -15.33 0 7 0 74 444.487 6 ↓
Lo Low (pH 4.5-6) 3.13 11.05 -56.2 1 7 1 75 445.495 6 ↓

Analogs

13734974
13734974
13692664
13692664
9423749
9423749

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Popular Name: (2Z)-8-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[2-(4-methoxyphenyl)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) 3.54 8.3 -12.75 0 6 0 65 414.461 5 ↓
Lo Low (pH 4.5-6) 3.54 11.16 -52 1 6 1 66 415.469 5 ↓

Analogs

13691429
13691429
20646585
20646585
20648057
20648057

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Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[2-(4-chlorophenyl)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) 4.16 9.51 -11.65 0 5 0 56 418.88 4 ↓
Lo Low (pH 4.5-6) 4.16 12.38 -53.27 1 5 1 57 419.888 4 ↓

Analogs

13691429
13691429
20646585
20646585
20648057
20648057

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2,4-dichlorophenyl)ethyl]-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-[2-(2,4-dichlorophenyl)et…

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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 9.91 -12.17 0 5 0 56 453.325 4 ↓

Analogs

13691429
13691429
20646585
20646585
20648057
20648057

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[2-(2-chlorophenyl)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) 4.11 9.4 -12.05 0 5 0 56 418.88 4 ↓

Analogs

13734974
13734974
9423749
9423749
20648057
20648057

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[2-(2-methoxyphenyl)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) 3.49 8.36 -12.69 0 6 0 65 414.461 5 ↓
Lo Low (pH 4.5-6) 3.49 11.22 -46.3 1 6 1 66 415.469 5 ↓

Parameters Provided:

ring.id = 562013
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 = 562013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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