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

Analogs

12442655
12442655
12442657
12442657

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofur (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) 3.82 9.4 -13.49 0 6 0 57 430.504 3 ↓
Lo Low (pH 4.5-6) 3.82 12.25 -51.67 1 6 1 58 431.512 3 ↓

Analogs

12442655
12442655
12442657
12442657

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofur (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) 3.82 9.33 -13.32 0 6 0 57 430.504 3 ↓
Lo Low (pH 4.5-6) 3.82 12.23 -52.12 1 6 1 58 431.512 3 ↓

Analogs

28182775
28182775
20625037
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro (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) 4.19 10.31 -13.25 0 6 0 57 444.531 4 ↓
Lo Low (pH 4.5-6) 4.19 13.17 -51.6 1 6 1 58 445.539 4 ↓

Analogs

28182775
28182775
20625037
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro (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) 4.19 10.25 -13.05 0 6 0 57 444.531 4 ↓
Lo Low (pH 4.5-6) 4.19 13.16 -51.98 1 6 1 58 445.539 4 ↓

Analogs

12442655
12442655
12442657
12442657

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9 (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) 3.85 8.69 -15.62 0 7 0 66 460.53 4 ↓
Lo Low (pH 4.5-6) 3.85 11.54 -54.73 1 7 1 67 461.538 4 ↓

Analogs

12442655
12442655
12442657
12442657

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9 (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) 3.85 8.62 -15.4 0 7 0 66 460.53 4 ↓
Lo Low (pH 4.5-6) 3.85 11.53 -55.11 1 7 1 67 461.538 4 ↓

Analogs

8993294
8993294
20647759
20647759

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9- (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) 4.22 9.61 -15.2 0 7 0 66 474.557 5 ↓
Lo Low (pH 4.5-6) 4.22 12.46 -54.55 1 7 1 67 475.565 5 ↓

Analogs

8993294
8993294
20647759
20647759

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9- (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) 4.22 9.53 -15.03 0 7 0 66 474.557 5 ↓
Lo Low (pH 4.5-6) 4.22 12.45 -54.96 1 7 1 67 475.565 5 ↓

Analogs

13692610
13692610
13692609
13692609

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][ (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) 3.44 8.74 -13.62 0 6 0 57 416.477 3 ↓
Lo Low (pH 4.5-6) 3.44 11.6 -52.07 1 6 1 58 417.485 3 ↓

Analogs

13692610
13692610
13692609
13692609

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][ (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) 3.44 8.68 -13.43 0 6 0 57 416.477 3 ↓
Lo Low (pH 4.5-6) 3.44 11.58 -52.42 1 6 1 58 417.485 3 ↓

Analogs

28182775
28182775
20625037
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1 (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) 3.82 9.66 -13.33 0 6 0 57 430.504 4 ↓
Lo Low (pH 4.5-6) 3.82 12.52 -52.01 1 6 1 58 431.512 4 ↓

Analogs

28182775
28182775
20625037
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1 (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) 3.82 9.6 -13.15 0 6 0 57 430.504 4 ↓
Lo Low (pH 4.5-6) 3.82 12.51 -52.38 1 6 1 58 431.512 4 ↓

Analogs

20648018
20648018
28182443
28182443
13692609
13692609

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrof (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) 3.47 8.03 -15.73 0 7 0 66 446.503 4 ↓
Lo Low (pH 4.5-6) 3.47 10.89 -55.12 1 7 1 67 447.511 4 ↓

Analogs

20648018
20648018
28182443
28182443
13692609
13692609

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrof (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) 3.47 7.97 -15.56 0 7 0 66 446.503 4 ↓
Lo Low (pH 4.5-6) 3.47 10.88 -55.58 1 7 1 67 447.511 4 ↓

Analogs

28182806
28182806
20647759
20647759
8993266
8993266

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofu (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) 3.85 8.96 -15.38 0 7 0 66 460.53 5 ↓
Lo Low (pH 4.5-6) 3.85 11.81 -54.87 1 7 1 67 461.538 5 ↓

Analogs

28182806
28182806
20647759
20647759
8993266
8993266

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofu (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) 3.85 8.88 -15.1 0 7 0 66 460.53 5 ↓
Lo Low (pH 4.5-6) 3.85 11.8 -55.28 1 7 1 67 461.538 5 ↓

Parameters Provided:

ring.id = 561878
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 = 561878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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