UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5818908
5818908

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Popular Name: (1R)-1-(4-amino-3,5-dichloro-phenyl)-2-[[(1S)-2-[4-[(2R)-2-[[(2R)-2-(4-amino-3,5-dichloro-phenyl)-2- (1R)-1-(4-amino-3,5-dichloro-phe…

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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) 5.54 8.14 -112.74 10 6 2 126 602.434 12 ↓
Hi High (pH 8-9.5) 5.54 6.84 -45.3 9 6 1 121 601.426 12 ↓

Analogs

5818908
5818908

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-amino-3,5-dichloro-phenyl)-2-[[(1R)-2-[4-[(2R)-2-[[(2R)-2-(4-amino-3,5-dichloro-phenyl)-2- (1R)-1-(4-amino-3,5-dichloro-phe…

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) 5.54 8.15 -107.74 10 6 2 126 602.434 12 ↓
Hi High (pH 8-9.5) 5.54 7.05 -44.27 9 6 1 121 601.426 12 ↓

Analogs

5818908
5818908

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-amino-3,5-dichloro-phenyl)-2-[[(1S)-2-[4-[(2S)-2-[[(2R)-2-(4-amino-3,5-dichloro-phenyl)-2- (1R)-1-(4-amino-3,5-dichloro-phe…

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) 5.54 8.16 -108.08 10 6 2 126 602.434 12 ↓
Hi High (pH 8-9.5) 5.54 6.71 -48.54 9 6 1 121 601.426 12 ↓

Parameters Provided:

ring.id = 8734
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 = 8734 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8734&filter.purchasability=annotated

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