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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41585004
41585004

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Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-(2-furylmethylene)-6-hydroxy-4-methy (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 3.75 9 -47.85 2 8 1 90 475.521 5 ↓
Hi High (pH 8-9.5) 3.75 7.28 -49.28 0 8 -1 91 473.505 5 ↓
Mid Mid (pH 6-8) 3.75 8.95 -53.79 2 8 1 90 475.521 5 ↓

Analogs

41584993
41584993

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Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(5-methyl-2-fury (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 3.97 9.48 -46.62 2 8 1 90 489.548 5 ↓
Hi High (pH 8-9.5) 3.97 7.99 -50.29 0 8 -1 91 487.532 5 ↓
Mid Mid (pH 6-8) 3.97 10.25 -32.25 1 8 0 93 488.54 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-(2-furylmethylene)-6-hydroxy-benzofu (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 3.37 8.32 -54.06 2 8 1 90 461.494 5 ↓
Hi High (pH 8-9.5) 3.37 6.65 -48.3 0 8 -1 91 459.478 5 ↓
Mid Mid (pH 6-8) 3.37 8.36 -48.23 2 8 1 90 461.494 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(5-methyl-2-furyl)methyle (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 3.59 8.82 -51.3 2 8 1 90 475.521 5 ↓
Hi High (pH 8-9.5) 3.59 7.34 -49.36 0 8 -1 91 473.505 5 ↓
Mid Mid (pH 6-8) 3.59 8.83 -47.03 2 8 1 90 475.521 5 ↓

Parameters Provided:

ring.id = 549997
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 = 549997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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