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

Analogs

11839125
11839125
34932719
34932719
34932732
34932732
34932734
34932734
34932736
34932736

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Popular Name: (1S)-6-(2-chlorobenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-(2-chlorobenzoyl)-N-[2-(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) 2.36 -2.21 -20.93 1 5 0 62 397.906 5 ↓
Lo Low (pH 4.5-6) 2.36 -2.08 -42.69 2 5 1 64 398.914 5 ↓

Analogs

34932719
34932719
34932732
34932732
34932734
34932734
34932736
34932736
34932738
34932738

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Popular Name: (1R)-6-(2-chlorobenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-(2-chlorobenzoyl)-N-[2-(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) 2.36 -2.21 -16.98 1 5 0 62 397.906 5 ↓
Lo Low (pH 4.5-6) 2.36 -2.07 -42.99 2 5 1 64 398.914 5 ↓

Analogs

11980882
11980882

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Popular Name: (2S)-6-(3-chloro-4-fluoro-benzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (2S)-6-(3-chloro-4-fluoro-benzoy…

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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) 2.50 -1.51 -16.18 1 5 0 62 415.896 5 ↓

Analogs

11980872
11980872

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Popular Name: (2R)-6-(3-chloro-4-fluoro-benzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (2R)-6-(3-chloro-4-fluoro-benzoy…

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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) 2.50 -1.52 -16.23 1 5 0 62 415.896 5 ↓

Analogs

11995332
11995332

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Popular Name: (2S)-6-(2-chloro-4-fluoro-benzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (2S)-6-(2-chloro-4-fluoro-benzoy…

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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) 2.50 -1.48 -15.71 1 5 0 62 415.896 5 ↓

Analogs

11995331
11995331

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Popular Name: (2R)-6-(2-chloro-4-fluoro-benzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (2R)-6-(2-chloro-4-fluoro-benzoy…

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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) 2.50 -1.47 -15.88 1 5 0 62 415.896 5 ↓

Analogs

11996280
11996280

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Popular Name: (1S)-N-[2-(2-pyridyl)ethyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-N-[2-(2-pyridyl)ethyl]-6-[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) 2.58 -0.08 -24.71 1 5 0 62 431.458 6 ↓

Analogs

11996279
11996279

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Popular Name: (1R)-N-[2-(2-pyridyl)ethyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-N-[2-(2-pyridyl)ethyl]-6-[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) 2.58 -0.1 -18.4 1 5 0 62 431.458 6 ↓

Analogs

12028088
12028088

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Popular Name: (1S)-6-(3,5-dimethylbenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-(3,5-dimethylbenzoyl)-N-[…

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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) 2.55 -1.31 -15.31 1 5 0 62 391.515 5 ↓

Analogs

12028085
12028085

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Popular Name: (1R)-6-(3,5-dimethylbenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-(3,5-dimethylbenzoyl)-N-[…

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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) 2.55 -1.42 -17.79 1 5 0 62 391.515 5 ↓

Analogs

12028122
12028122

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Popular Name: (1S)-6-(2,4-dimethylbenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-(2,4-dimethylbenzoyl)-N-[…

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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) 2.55 -1.49 -15.44 1 5 0 62 391.515 5 ↓

Analogs

12028117
12028117

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-(2,4-dimethylbenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-(2,4-dimethylbenzoyl)-N-[…

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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) 2.55 -1.49 -15.95 1 5 0 62 391.515 5 ↓

Analogs

12029321
12029321
34970722
34970722
34970724
34970724
34970725
34970725
34970730
34970730

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-(4-tert-butylbenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-(4-tert-butylbenzoyl)-N-[…

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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 -0.81 -14.76 1 5 0 62 419.569 6 ↓

Analogs

34970722
34970722
34970724
34970724
34970725
34970725
34970730
34970730
12029315
12029315

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-(4-tert-butylbenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-(4-tert-butylbenzoyl)-N-[…

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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 -0.93 -17.49 1 5 0 62 419.569 6 ↓

Analogs

12042121
12042121

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Popular Name: (1S)-6-(3-allyloxybenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-(3-allyloxybenzoyl)-N-[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) 2.41 -1.48 -17.31 1 6 0 72 419.525 8 ↓

Analogs

12042117
12042117

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-(3-allyloxybenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-(3-allyloxybenzoyl)-N-[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) 2.41 -1.58 -20.2 1 6 0 72 419.525 8 ↓

Analogs

12217616
12217616

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Popular Name: (1S)-6-(4-isopropoxybenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-(4-isopropoxybenzoyl)-N-[…

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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) 2.53 -1.62 -15.55 1 6 0 72 421.541 7 ↓
Lo Low (pH 4.5-6) 2.53 -1.49 -42.72 2 6 1 73 422.549 7 ↓

Analogs

12217615
12217615

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-(4-isopropoxybenzoyl)-N-[2-(2-pyridyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-(4-isopropoxybenzoyl)-N-[…

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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) 2.53 -1.75 -18.11 1 6 0 72 421.541 7 ↓
Lo Low (pH 4.5-6) 2.53 -1.61 -42.15 2 6 1 73 422.549 7 ↓

Parameters Provided:

ring.id = 58096
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 = 58096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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