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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4933013
4933013
4933014
4933014

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-isopropyl-4-methyl-8-methylsulfanyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-tri N-(4-chlorophenyl)-2-isopropyl-4…

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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) 3.95 -0.47 -14.57 2 6 0 71 377.901 4 ↓

Analogs

4933013
4933013
4933014
4933014

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-isopropyl-4-methyl-8-methylsulfanyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-tri N-(4-chlorophenyl)-2-isopropyl-4…

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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) 3.95 -0.46 -11.11 2 6 0 71 377.901 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A03619533-001-01-5 BRD-A03619533-001-01-5

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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 10.41 -12.41 2 6 0 72 343.456 4 ↓
Lo Low (pH 4.5-6) 3.45 10.92 -28.61 3 6 1 77 344.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A03619533-001-01-5 BRD-A03619533-001-01-5

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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 10.08 -8.83 2 6 0 72 343.456 4 ↓
Lo Low (pH 4.5-6) 3.45 10.8 -28.39 3 6 1 77 344.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-isobutyl-4-methyl-8-methylsulfanyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trie N-(4-chlorophenyl)-2-isobutyl-4-…

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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) 4.48 -1.35 -11.58 2 6 0 71 391.928 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-isobutyl-4-methyl-8-methylsulfanyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trie N-(4-chlorophenyl)-2-isobutyl-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) 4.48 -0.86 -10.91 2 6 0 71 391.928 5 ↓

Parameters Provided:

ring.id = 3779
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 = 3779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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