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

Analogs

39649186
39649186
39649187
39649187
4243453
4243453
4243455
4243455

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Popular Name: 7-azabicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride 7-azabicyclo[2.2.1]heptane-1-car…

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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) -1.79 -1.58 -39.51 2 3 0 57 141.17 1 ↓

Analogs

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Popular Name: 7-propyl-7-azabicyclo[2.2.1]heptane 7-propyl-7-azabicyclo[2.2.1]heptane

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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) 2.00 6.16 -27.27 1 1 1 4 140.25 2 ↓

Analogs

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Popular Name: 2-(7-azabicyclo[2.2.1]heptan-7-yl)ethanamine 2-(7-azabicyclo[2.2.1]heptan-7-y…

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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) -0.07 2.77 -107.04 4 2 2 32 142.246 2 ↓
Mid Mid (pH 6-8) -0.07 0.42 -41.17 3 2 1 31 141.238 2 ↓
Mid Mid (pH 6-8) -0.07 2.38 -27.67 3 2 1 30 141.238 2 ↓

Analogs

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Popular Name: 7-Azabicyclo[2.2.1]heptane-7-ethanol (9CI) 7-Azabicyclo[2.2.1]heptane-7-eth…

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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) 0.49 2.31 -28.59 2 2 1 25 142.222 2 ↓

Analogs

29567653
29567653

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Popular Name: N-(3,4-dimethoxyphenyl)-N-[(1S,4R,5S)-7-[2-(3,4-dimethoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptan-5-y N-(3,4-dimethoxyphenyl)-N-[(1S,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 100 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 100 0.24 Functional ≤ 10μM

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) 4.66 14.02 -52.81 1 10 1 108 562.643 11 ↓
Hi High (pH 8-9.5) 4.66 11.66 -12.94 0 10 0 106 561.635 11 ↓

Analogs

3994222
3994222

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Popular Name: (1R,4S,5S)-7-methyl-5-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane (1R,4S,5S)-7-methyl-5-pyridazin-…

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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) 0.23 4.74 -39.92 1 3 1 30 190.27 1 ↓

Analogs

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Popular Name: 2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-chloro-4-phenyl-pyridine-3,5-dicarbonitrile 2-(7-azabicyclo[2.2.1]heptan-7-y…

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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) 4.05 11.01 -5.73 0 4 0 64 334.81 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.48 13.19 -23.79 2 7 0 88 542.676 7 ↓
Lo Low (pH 4.5-6) 6.48 15.64 -59.71 3 7 1 89 543.684 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.48 13.39 -18.88 2 7 0 88 542.676 7 ↓
Lo Low (pH 4.5-6) 6.48 15.52 -52.84 3 7 1 89 543.684 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.48 13.16 -22.4 2 7 0 88 542.676 7 ↓
Lo Low (pH 4.5-6) 6.48 15.61 -59.93 3 7 1 89 543.684 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.48 13.35 -19.02 2 7 0 88 542.676 7 ↓
Lo Low (pH 4.5-6) 6.48 15.48 -53.37 3 7 1 89 543.684 7 ↓

Analogs

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Popular Name: 7-azabicyclo[2.2.1]heptan-7-yl-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazol-5-yl]me 7-azabicyclo[2.2.1]heptan-7-yl-[…

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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) 5.01 11.27 -11.44 0 4 0 38 420.365 3 ↓

Analogs

16484659
16484659
16484660
16484660
13038806
13038806

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Popular Name: ethyl ethyl

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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) 4.54 11.98 -49.12 3 7 1 89 470.615 8 ↓

Analogs

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Popular Name: [(1S,4R,5R)-7-methyl-7-azabicyclo[2.2.1]heptan-5-yl] [(1S,4R,5R)-7-methyl-7-azabicycl…

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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) 1.52 7.26 -37.53 2 6 1 69 288.327 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-Ethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate hydrochloride (1S,2S,4R)-Ethyl 7-azabicyclo[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) 2.11 4.21 -41.41 2 3 1 43 170.232 3 ↓
Hi High (pH 8-9.5) 2.11 2.99 -4.43 1 3 0 38 169.224 3 ↓

Analogs

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Popular Name: (1S,4R,5S)-5-(6-fluoro-3-pyridyl)-7-methyl-7-azabicyclo[2.2.1]heptane (1S,4R,5S)-5-(6-fluoro-3-pyridyl…

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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) 1.72 5.88 -41.18 1 2 1 17 207.272 1 ↓

Parameters Provided:

ring.id = 44489
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 = 44489 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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