Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_942jo4igacauabgo6p9ctl9ig1, 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: 4-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-isoxazole 4-[(2R)-2-(2,2-dimethylpropyl)py…

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) 2.47 5.22 -9.28 0 5 0 63 300.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-isoxazole 4-[(2S)-2-(2,2-dimethylpropyl)py…

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) 2.47 5.2 -9.37 0 5 0 63 300.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3,5-dimethylisoxazol-4-y…

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) 0.10 3.2 -45.77 0 7 -1 104 287.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3,5-dimethylisoxazol-4-y…

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) 0.10 3.23 -45.4 0 7 -1 104 287.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(3,5-dimethylisoxazol-4-y…

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) 0.43 3.62 -45.25 0 7 -1 104 301.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(3,5-dimethylisoxazol-4-y…

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) 0.43 3.71 -48.4 0 7 -1 104 301.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3,5-dimethylisoxazol-4-y…

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) 0.99 4.39 -45.53 0 7 -1 104 315.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3,5-dimethylisoxazol-4-y…

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) 0.99 4.48 -48.69 0 7 -1 104 315.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-amino-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N,N-diethyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-(3,5-dimethyli…

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) -0.81 2.01 -68.81 3 8 1 111 345.445 5 ↓
Hi High (pH 8-9.5) -0.81 0.69 -14.79 2 8 0 110 344.437 5 ↓

Analogs

30931384
30931384
39916607
39916607
39916608
39916608

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-isopentyl-pyrrolidine-2-carboxamide (2R)-1-(3,5-dimethylisoxazol-4-y…

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) 1.25 4.57 -18.55 1 7 0 93 343.449 6 ↓

Analogs

41953119
41953119

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(3,5-dimethylisoxazol-4-y…

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) -0.40 1.67 -19.17 1 7 0 93 287.341 3 ↓

Analogs

41953116
41953116

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(3,5-dimethylisoxazol-4-y…

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) -0.40 0.9 -18.62 1 7 0 93 287.341 3 ↓

Parameters Provided:

ring.id = 174502
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 = 174502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=174502&filter.purchasability=annotated

Embed Link to Results