Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_f7l4gvc35pijfp7ccju8i3ipv5, 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: 2-[(4-chloro-2-methyl-phenyl)-methylsulfonyl-amino]-N-(4-pyridylmethyl)acetamide 2-[(4-chloro-2-methyl-phenyl)-me…

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) 2.19 4.73 -12.88 1 6 0 79 367.858 6 ↓
Lo Low (pH 4.5-6) 2.19 5.17 -48.58 2 6 1 81 368.866 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-anilino-N-(4-pyridylmethyl)butanamide (2S)-2-anilino-N-(4-pyridylmethy…

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) 2.54 4.9 -8.46 2 4 0 54 269.348 6 ↓
Lo Low (pH 4.5-6) 2.54 5.36 -42.71 3 4 1 55 270.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-anilino-N-(4-pyridylmethyl)butanamide (2R)-2-anilino-N-(4-pyridylmethy…

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) 2.54 5.45 -9.61 2 4 0 54 269.348 6 ↓
Lo Low (pH 4.5-6) 2.54 5.91 -43.21 3 4 1 55 270.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-chloro-2-methyl-phenyl)-methylsulfonyl-amino]-N-(4-pyridylmethyl)propanamide (2R)-2-[(5-chloro-2-methyl-pheny…

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) 2.02 4.71 -13.32 1 6 0 79 381.885 6 ↓
Lo Low (pH 4.5-6) 2.02 4.99 -47.26 2 6 1 81 382.893 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-chloro-2-methyl-phenyl)-methylsulfonyl-amino]-N-(4-pyridylmethyl)propanamide (2S)-2-[(5-chloro-2-methyl-pheny…

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) 2.02 4.69 -22.8 1 6 0 79 381.885 6 ↓
Lo Low (pH 4.5-6) 2.02 4.96 -54.14 2 6 1 81 382.893 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-(3-fluoro-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)acetamide N-ethyl-2-(3-fluoro-N-methylsulf…

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) 1.39 6.28 -14.18 0 6 0 71 365.43 7 ↓
Lo Low (pH 4.5-6) 1.39 6.74 -43.87 1 6 1 72 366.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[ethyl(methyl)amino]-4-pyridyl]methyl]-2-(2-nitroanilino)acetamide N-[[2-[ethyl(methyl)amino]-4-pyr…

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) 2.24 7.67 -46.03 3 8 1 104 344.395 8 ↓
Hi High (pH 8-9.5) 2.24 7.3 -17.8 2 8 0 103 343.387 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-ethyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)propanamide (2S)-2-(4-ethyl-N-methylsulfonyl…

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) 1.88 4.89 -19.33 1 6 0 79 361.467 7 ↓
Lo Low (pH 4.5-6) 1.88 5.34 -50.28 2 6 1 81 362.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-ethyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)propanamide (2R)-2-(4-ethyl-N-methylsulfonyl…

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) 1.88 4.88 -13.72 1 6 0 79 361.467 7 ↓
Lo Low (pH 4.5-6) 1.88 5.3 -47.48 2 6 1 81 362.475 7 ↓

Analogs

37803430
37803430
37822726
37822726
37823967
37823967
37823968
37823968

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-methylanilino)-N-(4-pyridylmethyl)acetamide 2-(N-methylanilino)-N-(4-pyridyl…

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) 1.76 5.77 -10.83 1 4 0 45 255.321 5 ↓
Lo Low (pH 4.5-6) 1.76 6.22 -43.97 2 4 1 46 256.329 5 ↓

Analogs

48754253
48754253
48910760
48910760
49423197
49423197

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-ethyl-N-(4-pyridylmethyl)acetamide 2-anilino-N-ethyl-N-(4-pyridylme…

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) 1.63 6.82 -9.86 1 4 0 45 269.348 6 ↓
Lo Low (pH 4.5-6) 1.63 7.28 -38.2 2 4 1 46 270.356 6 ↓

Analogs

48754253
48754253
48910760
48910760
49423197
49423197
57996258
57996258
57996259
57996259

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-methyl-N-[(1S)-1-(4-pyridyl)ethyl]acetamide 2-anilino-N-methyl-N-[(1S)-1-(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) 1.82 6.84 -9.6 1 4 0 45 269.348 5 ↓
Lo Low (pH 4.5-6) 1.82 7.3 -40.21 2 4 1 46 270.356 5 ↓

Analogs

48754253
48754253
48910760
48910760
49423197
49423197
57996258
57996258
57996259
57996259

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-methyl-N-[(1R)-1-(4-pyridyl)ethyl]acetamide 2-anilino-N-methyl-N-[(1R)-1-(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) 1.82 6.1 -10.59 1 4 0 45 269.348 5 ↓
Lo Low (pH 4.5-6) 1.82 6.56 -40.86 2 4 1 46 270.356 5 ↓

Parameters Provided:

ring.id = 68223
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 = 68223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=68223&filter.purchasability=annotated

Embed Link to Results