Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_uqpj2olf3minqlmuhrr94u8dt6, 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: (7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)methyl (7-methyl-5-oxo-9-thia-2,6-diaza…

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) 2.99 10.28 -43.62 1 8 1 108 360.371 5 ↓

Analogs

4580369
4580369

Draw Identity 99% 90% 80% 70%

Popular Name: (2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl (2-oxo-7-thia-1,5-diazabicyclo[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) 3.76 2.74 -12.17 0 6 0 69 370.308 6 ↓

Analogs

4580442
4580442

Draw Identity 99% 90% 80% 70%

Popular Name: (7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)methyl (7-methyl-5-oxo-9-thia-2,6-diaza…

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 2.81 -11.28 0 6 0 69 384.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl (3-methyl-5-oxo-thiazolo[3,2-a]p…

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) 3.58 9.31 -12.04 0 5 0 61 397.225 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl (5-oxothiazolo[3,2-a]pyrimidin-7…

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) 2.08 5.87 -44.01 3 10 1 140 391.385 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.18 9.06 -11.47 0 5 0 61 318.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-chlorobenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.69 9.52 -11.18 0 5 0 61 334.784 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.46 9.67 -12.32 0 5 0 61 314.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-chlorobenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.31 9.39 -13.62 0 5 0 61 334.784 4 ↓

Analogs

3537655
3537655

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-bromobenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.44 9.48 -13.32 0 5 0 61 379.235 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylbenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.08 9.55 -12.24 0 5 0 61 314.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.44 9.66 -12.5 0 5 0 61 314.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.10 9.06 -15.57 0 6 0 70 330.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.07 8.33 -12.89 0 6 0 70 330.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(tert-butyl)benzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 4.72 11.33 -11.69 0 5 0 61 356.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxybenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.05 8.32 -14.05 0 6 0 70 330.365 5 ↓

Analogs

20991607
20991607

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4-dimethoxybenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 2.66 8.25 -14.71 0 7 0 79 360.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-chlorobenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.67 9.51 -12.28 0 5 0 61 334.784 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluorobenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.15 9.07 -12.8 0 5 0 61 318.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate (2-methyl-5-oxo-5H-thiazolo[3,2-…

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) 3.82 9.63 -11.09 0 5 0 61 379.235 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl (3-methyl-5-oxo-thiazolo[3,2-a]p…

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) 1.83 5.55 -19.95 2 7 0 104 343.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl (5-oxothiazolo[3,2-a]pyrimidin-7…

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) 3.67 9.34 -17.04 0 6 0 70 398.362 8 ↓

Parameters Provided:

ring.id = 2515
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 = 2515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2515&filter.purchasability=annotated

Embed Link to Results