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

Analogs

5088888
5088888
5088948
5088948

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Popular Name: N-cyclohexyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-methyl-acetamide N-cyclohexyl-2-[5-(3-fluoropheny…

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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) 2.83 1.98 -16.39 0 6 0 63 317.368 4 ↓

Analogs

19144383
19144383
5088634
5088634
3423978
3423978

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclohexyl-N-ethyl-acetamide 2-[5-(4-chlorophenyl)tetrazol-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) 3.74 9.24 -13.77 0 6 0 64 347.85 5 ↓

Analogs

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Popular Name: (2S)-N-(1-cyanocyclohexyl)-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2S)-N-(1-cyanocyclohexyl)-2-[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) 3.11 7.06 -24.17 1 7 0 97 338.415 4 ↓

Analogs

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Popular Name: (2R)-N-(1-cyanocyclohexyl)-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-(1-cyanocyclohexyl)-2-[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) 3.11 7.06 -24.1 1 7 0 97 338.415 4 ↓

Analogs

4956867
4956867

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Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclohexyl)propanamide (2S)-2-[5-(4-chlorophenyl)tetraz…

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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) 3.34 6.89 -25.77 1 7 0 97 358.833 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclohexyl)propanamide (2R)-2-[5-(4-chlorophenyl)tetraz…

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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) 3.34 6.89 -25.76 1 7 0 97 358.833 4 ↓

Analogs

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Popular Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-[(1S,2S)-2-methylcyclohex…

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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 8.15 -18.3 1 6 0 73 327.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-[(1R,2S)-2-methylcyclohex…

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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 8.59 -17.26 1 6 0 73 327.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide (2R)-2-[5-(4-chlorophenyl)tetraz…

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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) 3.73 8.44 -15.73 1 6 0 73 347.85 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide (2R)-2-[5-(4-chlorophenyl)tetraz…

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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) 3.73 8.01 -16.72 1 6 0 73 347.85 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide (2R)-2-[5-(4-chlorophenyl)tetraz…

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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) 3.73 8.02 -16.72 1 6 0 73 347.85 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide (2R)-2-[5-(4-chlorophenyl)tetraz…

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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) 3.73 8.44 -15.68 1 6 0 73 347.85 4 ↓

Analogs

7139947
7139947

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Popular Name: N-cyclohexyl-N-ethyl-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide N-cyclohexyl-N-ethyl-2-[5-(3-met…

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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) 3.10 8.02 -17.24 0 7 0 73 343.431 6 ↓

Analogs

4213627
4213627
4130075
4130075

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Popular Name: N-cyclohexyl-N-methyl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]-acetamide N-cyclohexyl-N-methyl-2-[5-(4-pr…

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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) 3.63 1.36 -16.54 0 7 0 73 357.458 7 ↓

Analogs

6481117
6481117

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Popular Name: N-cyclohexyl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]-acetamide N-cyclohexyl-2-[5-(4-propoxyphen…

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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) 3.38 -0.42 -16.34 1 7 0 81 343.431 7 ↓

Analogs

878272
878272
878273
878273

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Popular Name: 2-[5-(4-isobutoxyphenyl)tetrazol-2-yl]-N-(2-methylcyclohexyl)-acetamide 2-[5-(4-isobutoxyphenyl)tetrazol…

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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 1.17 -15.36 1 7 0 81 371.485 7 ↓

Parameters Provided:

ring.id = 4888
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 = 4888 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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