UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13689495
13689495
13721337
13721337
8991629
8991629

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Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-8-(2-furylmethyl)-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-2-[(6-bromo-4H-1,3-benzodio…

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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) 4.41 8.11 -11.35 0 7 0 74 510.34 3 ↓
Lo Low (pH 4.5-6) 4.41 10.96 -47.9 1 7 1 75 511.348 3 ↓

Analogs

13689495
13689495
13721337
13721337
13687559
13687559

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Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-(2-furylmethyl)-4-methyl-7,9-dihydrofuro[2,3- (2Z)-2-[(6-chloro-4H-1,3-benzodi…

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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) 4.27 8 -11.43 0 7 0 74 465.889 3 ↓
Lo Low (pH 4.5-6) 4.27 10.84 -48.09 1 7 1 75 466.897 3 ↓

Analogs

13721337
13721337
8991629
8991629
8991476
8991476

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-8-(2-furylmethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-2-[(6-bromo-4H-1,3-benzodio…

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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) 4.03 7.46 -11.4 0 7 0 74 496.313 3 ↓
Lo Low (pH 4.5-6) 4.03 10.31 -48.15 1 7 1 75 497.321 3 ↓

Analogs

13721337
13721337
13689495
13689495
13655639
13655639

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-(2-furylmethyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[(6-chloro-4H-1,3-benzodi…

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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) 3.90 7.36 -11.47 0 7 0 74 451.862 3 ↓
Lo Low (pH 4.5-6) 3.90 10.2 -48.34 1 7 1 75 452.87 3 ↓

Parameters Provided:

ring.id = 561724
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 = 561724 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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