Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_31kpm2ich07vpluee05ulrg252, 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-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]pyridine-3-carboxylic 2-[(4,6-diamino-1,3,5-triazin-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) -0.17 5.6 -53.36 4 8 -1 144 277.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-butyl-6-(2-pyridylsulfanylmethyl)-1,3,5-triazine-2,4-diamine N4-butyl-6-(2-pyridylsulfanylmet…

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 8.61 -8.85 3 6 0 90 290.396 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]pyridine-4-carboxylic 2-[(4,6-diamino-1,3,5-triazin-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) 0.17 5.71 -48.92 4 8 -1 144 277.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]pyridine-4-carboxylic 2-[[4-amino-6-(dimethylamino)-1,…

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) 1.33 8.69 -49.81 2 8 -1 121 305.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-amino-2-pyridyl)sulfanylmethyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[(3-amino-2-pyridyl)sulfanylme…

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) 0.90 6.2 -10.35 4 7 0 107 277.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-amino-2-pyridyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine 6-[(3-amino-2-pyridyl)sulfanylme…

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) -0.26 3.11 -9.8 6 7 0 130 249.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-amino-2-pyridyl)sulfanylmethyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[(5-amino-2-pyridyl)sulfanylme…

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) 1.12 6.03 -10.81 4 7 0 107 277.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-amino-2-pyridyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine 6-[(5-amino-2-pyridyl)sulfanylme…

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) -0.04 3.04 -10.01 6 7 0 130 249.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[(4,6-diamino-1,3,5-triazin-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) 0.65 6.98 -59.15 4 8 -1 144 305.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]pyridine-3-carboxylic 6-[(4,6-diamino-1,3,5-triazin-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) -0.11 5.7 -47.45 4 8 -1 144 277.289 4 ↓

Analogs

45025733
45025733

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]pyridine-3-carboxylic 6-[[4-amino-6-(dimethylamino)-1,…

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) 1.04 8.79 -48.08 2 8 -1 121 305.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-nitro-2-pyridyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine 6-[(3-nitro-2-pyridyl)sulfanylme…

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) 0.22 5.72 -14.11 4 9 0 149 279.285 4 ↓

Parameters Provided:

ring.id = 125079
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 = 125079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125079&filter.purchasability=annotated

Embed Link to Results