UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33707814
33707814
34689834
34689834
4923531
4923531
4418615
4418615

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Popular Name: N-[4-(2-anilinothiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide N-[4-(2-anilinothiazol-4-yl)phen…

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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) 6.42 11.92 -14.12 2 4 0 54 439.462 6 ↓

Analogs

34846960
34846960

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Popular Name: N-[4-(2-anilinothiazol-4-yl)phenyl]-3-nitro-5-(trifluoromethyl)benzamide N-[4-(2-anilinothiazol-4-yl)phen…

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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) 6.33 12.04 -12.57 2 7 0 100 484.459 7 ↓

Analogs

34688038
34688038
34689834
34689834

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Popular Name: N-[4-[2-[(4-chlorophenyl)amino]thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide N-[4-[2-[(4-chlorophenyl)amino]t…

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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) 7.10 12.42 -16.63 2 4 0 54 473.907 6 ↓

Analogs

33595812
33595812
34688038
34688038

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Popular Name: N-[4-[2-[[3-(trifluoromethyl)phenyl]amino]thiazol-4-yl]phenyl]benzamide N-[4-[2-[[3-(trifluoromethyl)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) 6.42 11.92 -15.13 2 4 0 54 439.462 6 ↓

Analogs

33707814
33707814
4375874
4375874

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Popular Name: 3-(trifluoromethyl)-N-[4-[2-[[3-(trifluoromethyl)phenyl]amino]thiazol-4-yl]phenyl]benzamide 3-(trifluoromethyl)-N-[4-[2-[[3-…

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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) 7.29 12.92 -17.51 2 4 0 54 507.459 7 ↓

Parameters Provided:

ring.id = 225582
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 = 225582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=225582&filter.purchasability=annotated

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