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

Analogs

13009615
13009615
13009617
13009617
13009619
13009619
7837430
7837430
7837435
7837435

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Popular Name: (2S)-N-(tert-butylcarbamoyl)-2-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadia (2S)-N-(tert-butylcarbamoyl)-2-[…

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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 5.35 -17.17 2 7 0 97 422.576 5 ↓

Analogs

13009617
13009617
13009619
13009619
13009614
13009614
7837430
7837430
7837435
7837435

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(tert-butylcarbamoyl)-2-[[5-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadia (2S)-N-(tert-butylcarbamoyl)-2-[…

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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 5.35 -17.22 2 7 0 97 422.576 5 ↓

Analogs

13009619
13009619
13009614
13009614
13009615
13009615
7837430
7837430

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(tert-butylcarbamoyl)-2-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadia (2R)-N-(tert-butylcarbamoyl)-2-[…

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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 5.34 -17.07 2 7 0 97 422.576 5 ↓

Analogs

13009614
13009614
13009615
13009615
13009617
13009617

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(tert-butylcarbamoyl)-2-[[5-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadia (2R)-N-(tert-butylcarbamoyl)-2-[…

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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 5.34 -17.15 2 7 0 97 422.576 5 ↓

Analogs

13009627
13009627
4937594
4937594
4937597
4937597

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Popular Name: N-ethyl-2-[[5-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ace N-ethyl-2-[[5-[(5S)-5-methyl-4,5…

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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) 3.20 3.12 -10.07 1 5 0 68 337.47 5 ↓

Analogs

4937594
4937594
4937597
4937597

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ace N-ethyl-2-[[5-[(5R)-5-methyl-4,5…

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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) 3.20 3.12 -10.06 1 5 0 68 337.47 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(4,5,6,…

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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) 3.89 4.94 -6.6 0 3 0 39 327.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(4,5,6,…

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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) 3.89 4.93 -6.57 0 3 0 39 327.247 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(4,5,6,7-tetrahydroben…

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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) 0.69 1.69 -43.93 3 4 1 67 264.374 3 ↓
Hi High (pH 8-9.5) 0.69 1.34 -7.38 2 4 0 65 263.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(4,5,6,7-tetrahydroben…

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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) 0.69 1.69 -43.96 3 4 1 67 264.374 3 ↓
Hi High (pH 8-9.5) 0.69 1.36 -6.06 2 4 0 65 263.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-N-methyl-1-[5-(4,5,6,7-tetr…

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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) 2.94 3.44 -39.04 2 4 1 56 278.401 4 ↓
Hi High (pH 8-9.5) 2.94 2.41 -6.04 1 4 0 51 277.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-[5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-N-methyl-1-[5-(4,5,6,7-tetr…

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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) 2.94 3.45 -39.11 2 4 1 56 278.401 4 ↓
Hi High (pH 8-9.5) 2.94 2.1 -8.32 1 4 0 51 277.393 4 ↓

Analogs

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Popular Name: 3-[5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(4,5,6,7-tetrahydrobenzothi…

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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) 2.02 4.27 -44.76 0 5 -1 79 277.325 4 ↓

Analogs

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Popular Name: 4-[5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(4,5,6,7-tetrahydrobenzothi…

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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) 2.29 5.05 -50.36 0 5 -1 79 291.352 5 ↓

Analogs

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Popular Name: 5-[5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(4,5,6,7-tetrahydrobenzothi…

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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) 2.79 5.83 -48.16 0 5 -1 79 305.379 6 ↓

Parameters Provided:

ring.id = 109994
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 = 109994 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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