Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_79fl9sc4c8niikjt70tqsbaeo4, 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-N-[[2-(methylaminomethyl)-3-furyl]methyl]tetrahydropyran-4-amine N-methyl-N-[[2-(methylaminomethy…

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) 0.86 5.13 -106.21 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(ethylaminomethyl)-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-(ethylaminomethyl)-3-furyl…

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) 1.24 5.99 -106.49 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[2-(propylaminomethyl)-3-furyl]methyl]tetrahydropyran-4-amine N-methyl-N-[[2-(propylaminomethy…

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) 1.74 6.74 -108.37 3 4 2 43 268.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(isopropylamino)methyl]-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-[(isopropylamino)methyl]-3…

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) 1.53 6.51 -104.04 3 4 2 43 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-(aminomethyl)-3-furyl]meth…

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) 0.48 3.41 -113.51 4 4 2 54 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(aminomethyl)-2-methyl-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[5-(aminomethyl)-2-methyl-3-f…

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) 0.71 4.1 -98.65 4 4 2 54 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[2-methyl-5-(methylaminomethyl)-3-furyl]methyl]tetrahydropyran-4-amine N-methyl-N-[[2-methyl-5-(methyla…

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) 1.08 5.98 -93.81 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(ethylaminomethyl)-2-methyl-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[5-(ethylaminomethyl)-2-methy…

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) 1.46 6.83 -93.51 3 4 2 43 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[2-methyl-5-(propylaminomethyl)-3-furyl]methyl]tetrahydropyran-4-amine N-methyl-N-[[2-methyl-5-(propyla…

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) 1.96 7.58 -95.07 3 4 2 43 282.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(isopropylamino)methyl]-2-methyl-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[5-[(isopropylamino)methyl]-2…

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) 1.75 7.36 -92.3 3 4 2 43 282.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(tert-butylamino)methyl]-2-methyl-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[5-[(tert-butylamino)methyl]-…

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) 2.27 7.77 -91.58 3 4 2 43 296.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(isobutylamino)methyl]-2-methyl-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[5-[(isobutylamino)methyl]-2-…

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) 2.20 8.28 -95.7 3 4 2 43 296.455 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(isobutylamino)methyl]-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-[(isobutylamino)methyl]-3-…

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) 1.98 7.44 -108.9 3 4 2 43 282.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(tert-butylamino)methyl]-3-furyl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-[(tert-butylamino)methyl]-…

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) 2.04 6.94 -103.26 3 4 2 43 282.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-(3-furylmethyl)-N-methyl-tetrahydropyran-4-amine 4-(aminomethyl)-N-(3-furylmethyl…

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) -0.06 0.7 -48.57 3 4 1 53 225.312 4 ↓
Lo Low (pH 4.5-6) -0.06 2.64 -125 4 4 2 54 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-methyl-N-[(2-methyl-3-furyl)methyl]tetrahydropyran-4-amine 4-(aminomethyl)-N-methyl-N-[(2-m…

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) 0.16 1.68 -47.36 3 4 1 53 239.339 4 ↓
Lo Low (pH 4.5-6) 0.16 3.55 -123.76 4 4 2 54 240.347 4 ↓

Parameters Provided:

ring.id = 242852
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 = 242852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=242852&filter.purchasability=annotated

Embed Link to Results