Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mf3dntghve969tn4e5sjhmr940, 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-(cyclopropylmethyl)-1-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine N-(cyclopropylmethyl)-1-[(2R)-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) 2.75 7.4 -43.71 2 2 1 26 218.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine N-(cyclopropylmethyl)-1-[(2S)-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) 2.75 7.37 -43.51 2 2 1 26 218.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-(2,3-dihydrobenzofuran-5-yl)-N-ethyl-ethane-1,2-diamine (1R)-N-(cyclopropylmethyl)-1-(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) 2.00 5.38 -51.05 3 3 1 40 261.389 6 ↓
Mid Mid (pH 6-8) 2.00 7.13 -128.46 4 3 2 41 262.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclopropylmethyl)-1-(2,3-dihydrobenzofuran-5-yl)-N-ethyl-ethane-1,2-diamine (1S)-N-(cyclopropylmethyl)-1-(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) 2.00 5.33 -50.77 3 3 1 40 261.389 6 ↓
Mid Mid (pH 6-8) 2.00 6.47 -129.47 4 3 2 41 262.397 6 ↓

Analogs

52274626
52274626
52274628
52274628
52274630
52274630
52274632
52274632

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclopropylmethyl)-1-(2,3-dihydrobenzofuran-5-yl)ethanamine (1S)-N-(cyclopropylmethyl)-1-(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) 2.95 7.27 -41.1 2 2 1 26 218.32 4 ↓

Analogs

52274626
52274626
52274628
52274628
52274630
52274630
52274632
52274632

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-(2,3-dihydrobenzofuran-5-yl)ethanamine (1R)-N-(cyclopropylmethyl)-1-(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) 2.95 7.27 -41.14 2 2 1 26 218.32 4 ↓

Analogs

52274690
52274690
52274692
52274692
52274693
52274693
52274695
52274695

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclopropylmethyl)-1-(2,3-dihydrobenzofuran-5-yl)propan-1-amine (1S)-N-(cyclopropylmethyl)-1-(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) 2.55 8.01 -39.72 2 2 1 26 232.347 5 ↓

Analogs

44516806
44516806
44516808
44516808
52274690
52274690
52274692
52274692
52274693
52274693

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-(2,3-dihydrobenzofuran-5-yl)propan-1-amine (1R)-N-(cyclopropylmethyl)-1-(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) 2.55 8.01 -39.7 2 2 1 26 232.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylmethylamino)-2-(2,3-dihydrobenzofuran-5-yl)ethanol (2S)-2-(cyclopropylmethylamino)-…

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) 1.94 4.18 -40.96 3 3 1 46 234.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylmethylamino)-2-(2,3-dihydrobenzofuran-5-yl)ethanol (2R)-2-(cyclopropylmethylamino)-…

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) 1.94 4.18 -40.7 3 3 1 46 234.319 5 ↓

Parameters Provided:

ring.id = 30076
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 = 30076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30076&filter.purchasability=annotated

Embed Link to Results