Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2u0ftb8bh2vgmc0reeee3oeql0, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-(tetrahydropyran-4-ylmethyl)cyclopentyl]methanamine N-methyl-1-[1-(tetrahydropyran-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.06 -41.02 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(tetrahydropyran-4-ylmethyl)cyclopentyl]methyl]ethanamine N-[[1-(tetrahydropyran-4-ylmethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.82 6.93 -39.88 2 2 1 26 226.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(tetrahydropyran-4-ylmethyl)cyclopentyl]methyl]propan-1-amine N-[[1-(tetrahydropyran-4-ylmethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.32 7.68 -40.74 2 2 1 26 240.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(tetrahydropyran-4-ylmethyl)cyclopentyl]methyl]propan-2-amine N-[[1-(tetrahydropyran-4-ylmethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.46 7.43 -38.28 2 2 1 26 240.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-(tetrahydropyran-4-ylmethyl)cyclopentyl]methyl]propan-2-amine 2-methyl-N-[[1-(tetrahydropyran-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.98 7.81 -36.56 2 2 1 26 254.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-(tetrahydropyran-4-ylmethyl)cyclopentyl]methyl]propan-1-amine 2-methyl-N-[[1-(tetrahydropyran-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.56 8.37 -40.43 2 2 1 26 254.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-(tetrahydropyran-4-ylmethyl)cyclopentyl]methyl]ethanamine 2-methoxy-N-[[1-(tetrahydropyran…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.42 5.83 -40.28 2 3 1 35 256.41 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclopentyl(tetrahydropyran-4-yl)methanamine (S)-cyclopentyl(tetrahydropyran-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.64 -43.14 3 2 1 37 184.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclopentyl(tetrahydropyran-4-yl)methanamine (R)-cyclopentyl(tetrahydropyran-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.63 -43.13 3 2 1 37 184.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopentyl-N-methyl-1-tetrahydropyran-4-yl-methanamine (1S)-1-cyclopentyl-N-methyl-1-te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.62 4.8 -40 2 2 1 26 198.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopentyl-N-methyl-1-tetrahydropyran-4-yl-methanamine (1R)-1-cyclopentyl-N-methyl-1-te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.62 5.04 -39.73 2 2 1 26 198.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclopentyl(tetrahydropyran-4-yl)methyl]ethanamine N-[(S)-cyclopentyl(tetrahydropyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.00 5.67 -37.88 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclopentyl(tetrahydropyran-4-yl)methyl]ethanamine N-[(R)-cyclopentyl(tetrahydropyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.00 5.55 -38.18 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclopentyl(tetrahydropyran-4-yl)methyl]propan-1-amine N-[(S)-cyclopentyl(tetrahydropyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.51 -38.7 2 2 1 26 226.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclopentyl(tetrahydropyran-4-yl)methyl]propan-1-amine N-[(R)-cyclopentyl(tetrahydropyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.32 -39.02 2 2 1 26 226.384 5 ↓

Parameters Provided:

ring.id = 132786
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 = 132786 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=132786&filter.purchasability=annotated

Embed Link to Results