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

Analogs

12442667
12442667
9423948
9423948
9423575
9423575

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Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 3.60 10.08 -14.03 0 6 0 61 437.499 3 ↓
Lo Low (pH 4.5-6) 3.60 10.55 -48.22 1 6 1 62 438.507 3 ↓

Analogs

9423405
9423405
8992305
8992305
28182775
28182775

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Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 3.98 11 -13.67 0 6 0 61 451.526 4 ↓
Lo Low (pH 4.5-6) 3.98 11.46 -48.07 1 6 1 62 452.534 4 ↓

Analogs

28182429
28182429
8993236
8993236
9422086
9422086

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-8-(3-pyridylmethyl)-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) 3.64 9.37 -16.18 0 7 0 70 467.525 4 ↓
Lo Low (pH 4.5-6) 3.64 9.83 -50.93 1 7 1 71 468.533 4 ↓

Analogs

9422207
9422207
9423320
9423320

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-8-(3-pyridylmethyl)-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) 4.01 10.29 -15.76 0 7 0 70 481.552 5 ↓
Lo Low (pH 4.5-6) 4.01 10.76 -50.59 1 7 1 71 482.56 5 ↓

Analogs

9423575
9423575
9423948
9423948
9422870
9422870

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (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) 3.23 9.43 -14.14 0 6 0 61 423.472 3 ↓
Lo Low (pH 4.5-6) 3.23 9.9 -48.48 1 6 1 62 424.48 3 ↓

Analogs

8992305
8992305
9423405
9423405

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (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) 3.60 10.35 -13.74 0 6 0 61 437.499 4 ↓
Lo Low (pH 4.5-6) 3.60 10.82 -48.23 1 6 1 62 438.507 4 ↓

Analogs

28182429
28182429
9422086
9422086
8993236
8993236

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (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) 3.26 8.72 -16.37 0 7 0 70 453.498 4 ↓
Lo Low (pH 4.5-6) 3.26 9.18 -51.2 1 7 1 71 454.506 4 ↓

Analogs

9422207
9422207
9423320
9423320

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 3.64 9.64 -15.99 0 7 0 70 467.525 5 ↓
Lo Low (pH 4.5-6) 3.64 10.11 -50.89 1 7 1 71 468.533 5 ↓

Parameters Provided:

ring.id = 561882
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 = 561882 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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