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

Analogs

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Popular Name: (9-chloro-7-methoxy-acridin-2-yl)methyl (9-chloro-7-methoxy-acridin-2-yl…

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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) 6.15 11.35 -10.41 0 4 0 48 377.827 5 ↓
Lo Low (pH 4.5-6) 6.15 11.73 -32.67 1 4 1 50 378.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9-chloro-7-methoxy-acridin-2-yl)methyl (9-chloro-7-methoxy-acridin-2-yl…

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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) 6.83 11.87 -9.19 0 4 0 48 412.272 5 ↓
Lo Low (pH 4.5-6) 6.83 12.25 -32.52 1 4 1 50 413.28 5 ↓

Analogs

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Popular Name: (9-amino-7-methoxy-acridin-2-yl)methyl (9-amino-7-methoxy-acridin-2-yl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50417-3-O Leishmania Infantum (cluster #3 Of 4), Other Other 3000 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50417 Z50417 Leishmania Infantum 3000 0.28 Functional ≤ 10μM

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) 5.63 9.89 -30.89 3 5 1 76 393.85 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9-chloro-7-methoxy-acridin-2-yl)methyl (9-chloro-7-methoxy-acridin-2-yl…

Find On: PubMed — Wikipedia — Google

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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) 6.21 10.67 -10.68 0 5 0 58 407.853 6 ↓
Lo Low (pH 4.5-6) 6.21 11.05 -33.19 1 5 1 59 408.861 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9-amino-7-methoxy-acridin-2-yl)methyl (9-amino-7-methoxy-acridin-2-yl)…

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) 4.96 9.37 -30.87 3 5 1 76 359.405 5 ↓

Parameters Provided:

ring.id = 188163
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 = 188163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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