Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jcitp6fle8venq81o0adgqp0l7, 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: N-(6-hydrazino-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine N-(6-hydrazino-5-nitro-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) 2.19 6.45 -9.73 4 10 0 144 333.333 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine N6-(6-methoxy-1,3-benzothiazol-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) 2.79 7.66 -10.21 2 10 0 127 376.398 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-ethoxy-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine N-(6-ethoxy-5-nitro-pyrimidin-4-…

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 7.15 -9.97 1 9 0 115 347.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-isopropoxy-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine N-(6-isopropoxy-5-nitro-pyrimidi…

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 8.06 -10.02 1 9 0 115 361.383 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[6-(N'-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine N-[6-(N'-tert-butylhydrazino)-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) 3.75 9.51 -8.7 3 10 0 130 389.441 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-isopentyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine N4-isopentyl-N6-(6-methoxy-1,3-b…

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) 4.46 10.62 -8.48 2 9 0 118 388.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-[(1S)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidine-4,6-diami N6-(6-methoxy-1,3-benzothiazol-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) 3.12 8.61 -9.76 2 10 0 127 390.425 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-[(1R)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidine-4,6-diami N6-(6-methoxy-1,3-benzothiazol-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) 3.12 8.61 -9.73 2 10 0 127 390.425 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-[(1R)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-(6-methoxy-1,3-benzothiazol-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) 4.01 10.28 -8.66 2 9 0 118 374.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-(6-methoxy-1,3-benzothiazol-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) 4.01 10.28 -8.67 2 9 0 118 374.426 7 ↓

Parameters Provided:

ring.id = 514058
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 = 514058 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=514058&filter.purchasability=annotated

Embed Link to Results