Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vms5o124d6e4en4qar19relfn1, 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

37994449
37994449
44618413
44618413
44618416
44618416

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]pyrrolidine-2-carboxylic (2R)-1-[(2,4-dioxo-1H-pyrimidin-…

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) -3.26 -0.57 -72.13 2 9 -1 143 288.261 3 ↓
Mid Mid (pH 6-8) -2.80 -2.28 -98.39 1 9 -2 146 287.253 3 ↓
Mid Mid (pH 6-8) -2.80 -3.15 -128.4 1 9 -2 146 287.253 3 ↓

Analogs

37994449
37994449
44618413
44618413
44618416
44618416

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]pyrrolidine-2-carboxylic (2S)-1-[(2,4-dioxo-1H-pyrimidin-…

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) -3.26 -0.12 -59.37 2 9 -1 143 288.261 3 ↓
Mid Mid (pH 6-8) -2.80 -2.85 -101.19 1 9 -2 146 287.253 3 ↓
Mid Mid (pH 6-8) -2.80 -2.64 -108.31 1 9 -2 146 287.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione 5-[(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) 1.06 5.39 -15.45 0 7 0 81 343.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione 5-[(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) 1.06 5.56 -16.28 0 7 0 81 343.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2,4-dioxo-1H-pyrimidin-…

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) -1.45 -0.44 -62.55 2 9 -1 143 302.288 3 ↓
Mid Mid (pH 6-8) -0.99 -3.24 -103.96 1 9 -2 146 301.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2,4-dioxo-1H-pyrimidin-…

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) -1.45 -0.43 -62.12 2 9 -1 143 302.288 3 ↓
Mid Mid (pH 6-8) -0.99 -3.21 -96.94 1 9 -2 146 301.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2,4-dioxo-1H-pyrimidin-…

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) -1.11 0.04 -61.68 2 9 -1 143 316.315 4 ↓
Mid Mid (pH 6-8) -0.65 -2.75 -103.45 1 9 -2 146 315.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2,4-dioxo-1H-pyrimidin-…

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) -1.11 0.14 -61.34 2 9 -1 143 316.315 4 ↓
Mid Mid (pH 6-8) -0.65 -2.66 -100.8 1 9 -2 146 315.307 4 ↓

Analogs

42434485
42434485

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione 5-[(2R)-2-(hydroxymethyl)pyrroli…

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) -1.68 -3.95 -16.8 3 8 0 123 275.286 3 ↓
Mid Mid (pH 6-8) -1.22 -5.68 -39.61 2 8 -1 126 274.278 3 ↓
Mid Mid (pH 6-8) -1.22 -6.53 -50.86 2 8 -1 126 274.278 3 ↓

Analogs

42434484
42434484

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione 5-[(2S)-2-(hydroxymethyl)pyrroli…

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) -1.68 -3.84 -19.37 3 8 0 123 275.286 3 ↓
Mid Mid (pH 6-8) -1.22 -5.93 -39.68 2 8 -1 126 274.278 3 ↓
Mid Mid (pH 6-8) -1.22 -6.34 -55.28 2 8 -1 126 274.278 3 ↓

Parameters Provided:

ring.id = 125725
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 = 125725 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125725&filter.purchasability=annotated

Embed Link to Results