Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5v7jbjri88fqpvin6kcr7p5ln7, 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: 3-allyl-2-[2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-oxo 3-allyl-2-[2-[1-[(1R)-2-methoxy-…

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) 3.35 11.44 -50.51 0 8 -1 106 468.555 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-oxo 3-allyl-2-[2-[1-[(1S)-2-methoxy-…

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) 3.35 11.42 -50.51 0 8 -1 106 468.555 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7 3-allyl-2-[2-[1-(3-methoxypropyl…

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 11.89 -53.69 0 8 -1 106 468.555 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-4-oxo-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazoline-7-carboxylic 3-allyl-4-oxo-2-[2-oxo-2-(1,2,5-…

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) 3.00 11.19 -51.92 0 7 -1 97 410.475 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxy 3-allyl-2-[2-(1-isopropyl-2,5-di…

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) 3.74 12.37 -51.84 0 7 -1 97 438.529 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic 3-allyl-2-[2-(1-ethyl-2,5-dimeth…

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) 3.38 12.07 -52.05 0 7 -1 97 424.502 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-methyl-4-oxo-quinazoline- 2-[2-(5-ethoxycarbonyl-2,4-dimet…

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) 2.89 10.48 -52.97 1 9 -1 134 442.473 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-4-oxo-quinazoline-7 2-[2-(5-ethoxycarbonyl-2,4-dimet…

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) 3.27 11.39 -53.1 1 9 -1 134 456.5 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ac 2-[2-[2-(5-ethoxycarbonyl-2,4-di…

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) 2.25 11.09 -63.04 1 9 -1 134 442.473 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]pr 3-[2-[2-(5-ethoxycarbonyl-2,4-di…

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) 2.52 11.5 -59.83 1 9 -1 134 456.5 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3- (2S)-2-[2-[2-(5-ethoxycarbonyl-2…

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) 2.62 12.08 -63.61 1 9 -1 134 456.5 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3- (2R)-2-[2-[2-(5-ethoxycarbonyl-2…

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) 2.62 12.08 -64.66 1 9 -1 134 456.5 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]he 6-[2-[2-(5-ethoxycarbonyl-2,4-di…

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) 3.80 13.87 -60.85 1 9 -1 134 498.581 13 ↓
Lo Low (pH 4.5-6) 3.80 11.89 -20.25 2 9 0 131 499.589 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3- (2S)-2-[2-[2-(5-ethoxycarbonyl-2…

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) 3.36 12.25 -57.09 1 9 -1 134 484.554 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3- (2R)-2-[2-[2-(5-ethoxycarbonyl-2…

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) 3.36 13.7 -65.98 1 9 -1 134 484.554 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7 3-allyl-2-[2-(5-ethoxycarbonyl-2…

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) 3.54 11.94 -52.47 1 9 -1 134 468.511 10 ↓

Parameters Provided:

ring.id = 119015
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 = 119015 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=119015&filter.purchasability=annotated

Embed Link to Results