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

Analogs

4100719
4100719

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Popular Name: YELLOW AB YELLOW AB

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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) 4.72 7.35 -11.01 2 3 0 51 247.301 2 ↓

Analogs

3861456
3861456

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Popular Name: disodium 4-[2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate disodium 4-[2-(2,4-dimethylpheny…

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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) -0.27 -0.11 -92.79 1 9 -2 159 434.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-hydroxy-4-phenylazo-naphthalene-1-sulfonic 5-hydroxy-4-phenylazo-naphthalen…

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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) 1.97 2.82 -49.98 1 6 -1 102 327.341 3 ↓
Hi High (pH 8-9.5) 1.97 3.59 -111.33 0 6 -2 105 326.333 3 ↓
Hi High (pH 8-9.5) 1.97 2.36 -109.37 0 6 -2 105 326.333 3 ↓

Parameters Provided:

ring.id = 40123
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 = 40123 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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