Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_v65enhcrj0d0v2u1m08dvb9fv2, 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: 5-methyl-6-quinazolin-4-ylsulfanyl-pyridin-3-amine 5-methyl-6-quinazolin-4-ylsulfan…

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) 3.09 6.44 -11.67 2 4 0 65 268.345 2 ↓
Lo Low (pH 4.5-6) 3.09 5.8 -32.89 3 4 1 66 269.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-bromo-2-pyridyl)sulfanyl]quinazoline 4-[(6-bromo-2-pyridyl)sulfanyl]q…

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) 4.21 8.48 -11.22 0 3 0 39 318.199 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-quinazolin-4-ylsulfanylpyridine-3-carboxylic 2-quinazolin-4-ylsulfanylpyridin…

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) 2.58 8.42 -49.94 0 5 -1 79 282.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-quinazolin-4-ylsulfanylpyridine-3-carboxylic 6-quinazolin-4-ylsulfanylpyridin…

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) 2.63 8.53 -51.57 0 5 -1 79 282.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-quinazolin-4-ylsulfanyl-pyridine-3-carboxylic 5-chloro-6-quinazolin-4-ylsulfan…

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) 3.24 8.97 -46.88 0 5 -1 79 316.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-quinazolin-4-ylsulfanyl-pyridine-2-carboxylic 3-chloro-6-quinazolin-4-ylsulfan…

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) 3.72 8.93 -59.28 0 5 -1 79 316.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-quinazolin-4-ylsulfanyl-pyridine-4-carboxylic 2-chloro-6-quinazolin-4-ylsulfan…

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) 3.94 8.96 -45.12 0 5 -1 79 316.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-quinazolin-4-ylsulfanylpyridin-3-amine 6-quinazolin-4-ylsulfanylpyridin…

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) 2.71 5.87 -11.23 2 4 0 65 254.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-quinazolin-4-ylsulfanyl-pyridin-3-amine 2-methoxy-6-quinazolin-4-ylsulfa…

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 4.76 -11.05 2 5 0 74 284.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-quinazolin-4-ylsulfanyl-pyridin-3-amine 2-ethoxy-6-quinazolin-4-ylsulfan…

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 5.69 -10.97 2 5 0 74 298.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-quinazolin-4-ylsulfanylpyridine-4-carbonitrile 2-quinazolin-4-ylsulfanylpyridin…

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) 2.76 8.38 -10.81 0 4 0 62 264.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-quinazolin-4-ylsulfanylpyridine-3-carbonitrile 6-quinazolin-4-ylsulfanylpyridin…

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) 2.82 8.38 -11.76 0 4 0 62 264.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-quinazolin-4-ylsulfanylpyridine-3-carbonitrile 2-quinazolin-4-ylsulfanylpyridin…

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) 2.76 8.28 -11.84 0 4 0 62 264.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-2-quinazolin-4-ylsulfanyl-pyridine-3-carboxamidine N'-hydroxy-2-quinazolin-4-ylsulf…

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) 1.32 5.07 -14.53 3 6 0 97 297.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-6-quinazolin-4-ylsulfanyl-pyridine-3-carboxamidine N'-hydroxy-6-quinazolin-4-ylsulf…

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) 1.38 4.84 -11.88 3 6 0 97 297.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-quinazolin-4-ylsulfanylpyridine-3-carboxamidine 2-quinazolin-4-ylsulfanylpyridin…

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) 1.40 5.44 -41.96 4 5 1 90 282.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-quinazolin-4-ylsulfanylpyridine-3-carboxamidine 6-quinazolin-4-ylsulfanylpyridin…

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 5.85 -42.12 4 5 1 90 282.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-quinazolin-4-ylsulfanylpyridine-4-carboxamidine 2-quinazolin-4-ylsulfanylpyridin…

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) 1.40 5.87 -44.67 4 5 1 90 282.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-chloro-3-nitro-2-pyridyl)sulfanyl]quinazoline 4-[(6-chloro-3-nitro-2-pyridyl)s…

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) 3.99 8.97 -10.57 0 6 0 85 318.745 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-quinazolin-4-ylsulfanyl-4-pyridyl)methanamine (2-quinazolin-4-ylsulfanyl-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) 2.19 6.01 -57.64 3 4 1 66 269.353 3 ↓
Hi High (pH 8-9.5) 2.19 5.61 -10.36 2 4 0 65 268.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-quinazolin-4-ylsulfanyl-3-pyridyl)methanamine (6-quinazolin-4-ylsulfanyl-3-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) 2.25 5.99 -54.93 3 4 1 66 269.353 3 ↓
Hi High (pH 8-9.5) 2.25 5.59 -10.08 2 4 0 65 268.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-quinazolin-4-ylsulfanyl-3-pyridyl)methanamine (2-quinazolin-4-ylsulfanyl-3-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) 2.19 5.94 -55.14 3 4 1 66 269.353 3 ↓
Hi High (pH 8-9.5) 2.19 5.54 -10.8 2 4 0 65 268.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-quinazolin-4-ylsulfanyl-pyridine-3-carboxamide 5-amino-2-quinazolin-4-ylsulfany…

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) 1.46 2.65 -16.72 4 6 0 108 297.343 3 ↓

Parameters Provided:

ring.id = 23131
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 = 23131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23131&filter.purchasability=annotated

Embed Link to Results