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

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-(3-nitrophenyl)methanamine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 3.33 9.48 -53.01 2 4 1 62 259.329 5 ↓
Hi High (pH 8-9.5) 3.33 8.12 -6.89 1 4 0 58 258.321 5 ↓

Analogs

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Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-(3-nitrophenyl)methanamine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.33 9.5 -57.06 2 4 1 62 259.329 5 ↓
Hi High (pH 8-9.5) 3.33 8.16 -7.41 1 4 0 58 258.321 5 ↓

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 4.29 9.77 -46.99 2 1 1 17 282.329 5 ↓
Hi High (pH 8-9.5) 4.29 8.4 -2.35 1 1 0 12 281.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 4.29 9.79 -50.56 2 1 1 17 282.329 5 ↓
Hi High (pH 8-9.5) 4.29 8.44 -2.71 1 1 0 12 281.321 5 ↓

Analogs

42477462
42477462
42477464
42477464

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Popular Name: 4-[[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]methyl]benzenesulfonamide 4-[[[(1R,4R,5R)-5-bicyclo[2.2.1]…

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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) 2.08 3.74 -53.81 4 4 1 77 293.412 5 ↓

Analogs

42477462
42477462
42477464
42477464

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]methyl]benzenesulfonamide 4-[[[(1R,4R,5S)-5-bicyclo[2.2.1]…

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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) 2.08 3.76 -57.39 4 4 1 77 293.412 5 ↓

Analogs

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Popular Name: 4-[[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]methyl]-N-methyl-benzamide 4-[[[(1R,4R,5R)-5-bicyclo[2.2.1]…

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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 7.05 -51.6 3 3 1 46 271.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]methyl]-N-methyl-benzamide 4-[[[(1R,4R,5S)-5-bicyclo[2.2.1]…

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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 7.07 -55.36 3 3 1 46 271.384 5 ↓

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-(4-bromophenyl)propan-2-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 5.21 10.42 -39.62 2 1 1 17 321.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-(4-bromophenyl)propan-2-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 5.21 10.46 -42.29 2 1 1 17 321.282 4 ↓

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-(3,4-difluorophenyl)methanamine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 3.65 8.89 -49.79 2 1 1 17 250.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-1-(3,4-difluorophenyl)methanamine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.65 8.91 -53.67 2 1 1 17 250.312 4 ↓

Parameters Provided:

ring.id = 36300
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 = 36300 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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