Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qhcdglrdp65sgifc3ne0km1g82, 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: (1S,2R)-2-[[(1S)-1-(3-thienyl)ethyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1S)-1-(3-thienyl)et…

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) 2.36 6.97 -58.52 1 4 -1 69 280.369 4 ↓
Lo Low (pH 4.5-6) 2.36 5.66 -11.29 2 4 0 66 281.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(3-thienyl)ethyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1R)-1-(3-thienyl)et…

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) 2.36 6.96 -59.68 1 4 -1 69 280.369 4 ↓
Lo Low (pH 4.5-6) 2.36 5.66 -11.79 2 4 0 66 281.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(3-thienyl)ethyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1S)-1-(3-thienyl)et…

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) 2.36 7.95 -58.81 1 4 -1 69 280.369 4 ↓
Lo Low (pH 4.5-6) 2.36 5.91 -11.55 2 4 0 66 281.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(3-thienyl)ethyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1R)-1-(3-thienyl)et…

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) 2.36 7.95 -57.69 1 4 -1 69 280.369 4 ↓
Lo Low (pH 4.5-6) 2.36 5.91 -10.94 2 4 0 66 281.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 4-amino-N-[(1S)-1-(3-thienyl)eth…

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) 1.14 3.75 -42.28 4 3 1 57 253.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 4-amino-N-[(1R)-1-(3-thienyl)eth…

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) 1.14 3.75 -43.82 4 3 1 57 253.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1S)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-amino-N-[(1S)-1-(3-thienyl)eth…

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) 2.35 3.84 -52.75 4 3 1 57 253.391 3 ↓
Mid Mid (pH 6-8) 2.35 3.9 -7.76 3 3 0 55 252.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1R)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-amino-N-[(1R)-1-(3-thienyl)eth…

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) 2.35 3.85 -52.77 4 3 1 57 253.391 3 ↓
Mid Mid (pH 6-8) 2.35 3.56 -5.96 3 3 0 55 252.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-[(1S)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-cyano-N-[(1S)-1-(3-thienyl)eth…

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 6.48 -7.8 1 3 0 53 262.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-[(1R)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-cyano-N-[(1R)-1-(3-thienyl)eth…

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 6.48 -7.81 1 3 0 53 262.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-carbamothioyl-N-[(1S)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-carbamothioyl-N-[(1S)-1-(3-thi…

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 5.28 -5.99 3 3 0 55 296.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-carbamothioyl-N-[(1R)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-carbamothioyl-N-[(1R)-1-(3-thi…

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 5.29 -5.97 3 3 0 55 296.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(1S)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-[(Z)-N'-hydroxycarbamimidoyl]-…

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) 2.30 2.91 -5.44 4 5 0 88 295.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(1R)-1-(3-thienyl)ethyl]cyclohexanecarboxamide 1-[(Z)-N'-hydroxycarbamimidoyl]-…

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) 2.30 2.92 -5.85 4 5 0 88 295.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1R)-1-methylpropyl]-N-(3-thienylmethyl)cyclohexanecarboxamide 4-methoxy-N-[(1R)-1-methylpropyl…

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) 3.14 8.99 -8.89 0 3 0 30 309.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-1-methylpropyl]-N-(3-thienylmethyl)cyclohexanecarboxamide 4-methoxy-N-[(1S)-1-methylpropyl…

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) 3.14 8.83 -7.09 0 3 0 30 309.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(methanesulfonamido)-N-(3-thienylmethyl)cyclohexanecarboxamide 1-(methanesulfonamido)-N-(3-thie…

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) 1.54 1.98 -14.07 2 5 0 75 316.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butyl-N-(2-methoxyethyl)-N-(3-thienylmethyl)cyclohexanecarboxamide 4-butyl-N-(2-methoxyethyl)-N-(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) 4.45 10.35 -7.64 0 3 0 30 337.529 9 ↓

Analogs

42931063
42931063
13698095
13698095

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butyl-N-(3-thienylmethyl)cyclohexanecarboxamide 4-butyl-N-(3-thienylmethyl)cyclo…

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) 4.22 8.43 -5.95 1 2 0 29 279.449 6 ↓

Parameters Provided:

ring.id = 211886
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 = 211886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=211886&filter.purchasability=annotated

Embed Link to Results