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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: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-4-methyl-7-[(4-phenylpiperazin-1-yl)m (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) 5.29 12.1 -46.79 2 7 1 77 520.005 4 ↓
Mid Mid (pH 6-8) 5.29 12.66 -29.84 1 7 0 79 518.997 4 ↓
Mid Mid (pH 6-8) 5.29 9.85 -11.01 1 7 0 75 518.997 4 ↓

Analogs

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Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[(4-phenylpiperazin-1-yl)methyl]ben (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) 4.91 9.15 -10.9 1 7 0 75 504.97 4 ↓
Mid Mid (pH 6-8) 4.91 9.75 -43.15 0 7 -1 78 503.962 4 ↓
Mid Mid (pH 6-8) 4.91 11.41 -47.72 2 7 1 77 505.978 4 ↓

Analogs

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Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6- (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) 5.03 9.41 -12.11 1 7 0 75 522.96 4 ↓
Mid Mid (pH 6-8) 5.03 10.18 -46.41 0 7 -1 78 521.952 4 ↓
Mid Mid (pH 6-8) 5.03 11.62 -44.5 2 7 1 77 523.968 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6- (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) 5.08 8.79 -11.57 1 7 0 75 522.96 4 ↓
Mid Mid (pH 6-8) 5.08 9.55 -42.24 0 7 -1 78 521.952 4 ↓
Mid Mid (pH 6-8) 5.08 11 -52.71 2 7 1 77 523.968 4 ↓

Parameters Provided:

ring.id = 550060
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 = 550060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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