UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2 (E)-3-[5-(3-chloro-4-methyl-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) 7.33 13.04 -15.25 2 5 0 70 471.966 5 ↓

Analogs

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Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]pr (E)-3-[5-(3-chloro-4-methyl-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) 8.00 14.34 -15.02 2 5 0 70 482.03 5 ↓

Analogs

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Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]pr (E)-3-[5-(3-chloro-4-methyl-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) 8.00 13.96 -17.27 2 5 0 70 482.03 5 ↓

Analogs

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Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]prop- (E)-3-[5-(3-chloro-4-methyl-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) 7.23 11.86 -16.83 2 6 0 80 484.002 6 ↓

Analogs

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Popular Name: (E)-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]prop-2 (E)-N-[(4-chloro-1,3-benzothiazo…

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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) 7.82 13.51 -13.92 2 5 0 70 488.421 5 ↓

Analogs

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Popular Name: (E)-N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]prop-2 (E)-N-[(6-chloro-1,3-benzothiazo…

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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) 7.85 13.49 -14.73 2 5 0 70 488.421 5 ↓

Parameters Provided:

ring.id = 111647
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 = 111647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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