Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_f6ograli4d7vkm7pd321tjaem5, 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

11838660
11838660

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4-[(2S)-2-hydroxy-3-thiomorpholino-propoxy]-3-methoxy-phenyl]methylamino]ethyl]acetamide N-[2-[[4-[(2S)-2-hydroxy-3-thiom…

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 -5.11 -106.37 5 7 2 89 399.557 11 ↓

Analogs

11838657
11838657

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4-[(2R)-2-hydroxy-3-thiomorpholino-propoxy]-3-methoxy-phenyl]methylamino]ethyl]acetamide N-[2-[[4-[(2R)-2-hydroxy-3-thiom…

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 -5.08 -106.4 5 7 2 89 399.557 11 ↓

Analogs

11838675
11838675

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[(2S)-2-hydroxy-3-thiomorpholino-propoxy]-3-methoxy-phenyl]methylamino]-2,2-dimethyl-propan-1- 3-[[4-[(2S)-2-hydroxy-3-thiomorp…

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) 1.44 -4.37 -98.77 5 6 2 80 400.585 11 ↓

Analogs

11838672
11838672

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[(2R)-2-hydroxy-3-thiomorpholino-propoxy]-3-methoxy-phenyl]methylamino]-2,2-dimethyl-propan-1- 3-[[4-[(2R)-2-hydroxy-3-thiomorp…

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) 1.44 -4.44 -100.83 5 6 2 80 400.585 11 ↓

Analogs

11998334
11998334

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[(2-isopropoxyethylamino)methyl]phenoxy]-3-thiomorpholino-propan-2-ol (2S)-1-[2-[(2-isopropoxyethylami…

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 -3.57 -96.16 4 5 2 60 370.559 11 ↓

Analogs

11998331
11998331

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[(2-isopropoxyethylamino)methyl]phenoxy]-3-thiomorpholino-propan-2-ol (2R)-1-[2-[(2-isopropoxyethylami…

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 -3.37 -94.64 4 5 2 60 370.559 11 ↓

Analogs

12025241
12025241

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-methoxy-4-[[(2-methoxy-2-methyl-propyl)amino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol (2S)-1-[2-methoxy-4-[[(2-methoxy…

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) 1.71 -2.66 -93.41 4 6 2 69 400.585 11 ↓

Analogs

12025236
12025236

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-methoxy-4-[[(2-methoxy-2-methyl-propyl)amino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol (2R)-1-[2-methoxy-4-[[(2-methoxy…

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) 1.71 -2.62 -93.43 4 6 2 69 400.585 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-bromo-4-chloro-phenoxy)-3-thiomorpholino-propan-2-ol (2R)-1-(2-bromo-4-chloro-phenoxy…

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) 3.18 6.66 -46.92 2 3 1 34 367.716 5 ↓
Hi High (pH 8-9.5) 3.18 4.58 -8.19 1 3 0 33 366.708 5 ↓

Parameters Provided:

ring.id = 57778
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 = 57778 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=57778&filter.purchasability=annotated

Embed Link to Results