UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20648888
20648888
8993052
8993052

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Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-4-methyl-2-[(1-methylindol-…

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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) 5.76 13.56 -12.55 0 5 0 48 464.565 5 ↓
Lo Low (pH 4.5-6) 5.76 16.4 -58.34 1 5 1 49 465.573 5 ↓

Analogs

20625037
20625037

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Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(1-ethylindol-3-yl)methy…

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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) 6.14 14.48 -12.22 0 5 0 48 478.592 6 ↓
Lo Low (pH 4.5-6) 6.14 17.32 -58.22 1 5 1 49 479.6 6 ↓

Analogs

9423819
9423819
8993236
8993236
8993554
8993554

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Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f] (2Z)-2-[(5-methoxy-1-methyl-indo…

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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) 5.80 12.85 -14.63 0 6 0 57 494.591 6 ↓
Lo Low (pH 4.5-6) 5.80 15.69 -61.44 1 6 1 58 495.599 6 ↓

Analogs

8993294
8993294
20647759
20647759

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Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][ (2Z)-2-[(1-ethyl-5-methoxy-indol…

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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) 6.17 13.77 -14.25 0 6 0 57 508.618 7 ↓
Lo Low (pH 4.5-6) 6.17 16.61 -61.32 1 6 1 58 509.626 7 ↓

Analogs

9423575
9423575
9423005
9423005
9422227
9422227

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Popular Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(1-methylindol-3-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) 5.39 12.91 -12.69 0 5 0 48 450.538 5 ↓
Lo Low (pH 4.5-6) 5.39 15.75 -58.64 1 5 1 49 451.546 5 ↓

Analogs

8992305
8992305
9422006
9422006

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Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(1-ethylindol-3-yl)methy…

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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) 5.76 13.83 -12.36 0 5 0 48 464.565 6 ↓
Lo Low (pH 4.5-6) 5.76 16.67 -58.59 1 5 1 49 465.573 6 ↓

Analogs

8993236
8993236
8990227
8990227
9421045
9421045

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Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-2-[(5-methoxy-1-methyl-indo…

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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) 5.42 12.2 -14.79 0 6 0 57 480.564 6 ↓
Lo Low (pH 4.5-6) 5.42 15.04 -61.87 1 6 1 58 481.572 6 ↓

Analogs

9422207
9422207
9423793
9423793

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Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(1-ethyl-5-methoxy-indol…

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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) 5.80 13.11 -14.46 0 6 0 57 494.591 7 ↓
Lo Low (pH 4.5-6) 5.80 15.96 -61.74 1 6 1 58 495.599 7 ↓

Parameters Provided:

ring.id = 561853
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 = 561853 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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