Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_19u2bgdshd9inlf111mu5faub1, 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: 1-[2-[[(3R)-1,1-dioxothian-3-yl]amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[[(3R)-1,1-dioxothian-3-yl]…

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 4.24 -64.56 1 6 -1 103 316.399 4 ↓
Mid Mid (pH 6-8) 0.71 2.23 -24.03 2 6 0 101 317.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(3S)-1,1-dioxothian-3-yl]amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[[(3S)-1,1-dioxothian-3-yl]…

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 4.14 -64.58 1 6 -1 103 316.399 4 ↓
Mid Mid (pH 6-8) 0.71 2.16 -23.6 2 6 0 101 317.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1S,2S)-2-aminocyclohexyl]-N-…

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) 0.13 0.36 -64.23 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2R)-2-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1S,2R)-2-aminocyclohexyl]-N-…

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) 0.13 0.55 -65.27 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1R,2S)-2-aminocyclohexyl]-N-…

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) 0.13 0.56 -63.65 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R)-2-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1R,2R)-2-aminocyclohexyl]-N-…

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) 0.13 0.74 -64.83 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R)-3-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1S,3R)-3-aminocyclohexyl]-N-…

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) 0.07 0.52 -59.86 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1R,3R)-3-aminocyclohexyl]-N-…

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) 0.07 0.7 -55.9 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1S,3S)-3-aminocyclohexyl]-N-…

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) 0.07 0.27 -63.91 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[(1R,3S)-3-aminocyclohexyl]-N-…

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) 0.07 0.52 -60.44 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-N-[(3S)-1,1-dioxothian-3-yl]acetamide 2-(4-aminocyclohexyl)-N-[(3S)-1,…

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 0.29 -64.47 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-(4-aminocyclohexyl)-N-[(3R)-1,…

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 0.53 -56.25 4 5 1 91 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(aminomethyl)cyclohexyl]-N-[(3S)-1,1-dioxothian-3-yl]acetamide 2-[4-(aminomethyl)cyclohexyl]-N-…

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) 0.15 1.28 -59.7 4 5 1 91 303.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(aminomethyl)cyclohexyl]-N-[(3R)-1,1-dioxothian-3-yl]acetamide 2-[4-(aminomethyl)cyclohexyl]-N-…

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) 0.15 1.06 -65.39 4 5 1 91 303.448 4 ↓

Parameters Provided:

ring.id = 289289
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 = 289289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=289289&filter.purchasability=annotated

Embed Link to Results