UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16689590
16689590

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Popular Name: N-isopropyl-2-(4-methoxyphenyl)-6-methyl-chromen-4-imine N-isopropyl-2-(4-methoxyphenyl)-…

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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) 5.60 9.26 -25.99 1 3 1 36 308.401 3 ↓

Analogs

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Popular Name: 2-[[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]ethanol 2-[[6-methoxy-2-(4-methoxyphenyl…

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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) 3.91 -2.71 -12.67 1 5 0 64 325.364 5 ↓

Analogs

12129827
12129827

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Popular Name: 3-[[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]propan-1-ol 3-[[6-methoxy-2-(4-methoxyphenyl…

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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) 4.18 -2.65 -11.99 1 5 0 64 339.391 6 ↓

Analogs

16689590
16689590

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Popular Name: 3-[(E)-[2-(4-methoxyphenyl)-5,7-dimethyl-chromen-4-ylidene]amino]propan-1-ol 3-[(E)-[2-(4-methoxyphenyl)-5,7-…

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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) 4.94 -1.02 -9.52 1 4 0 54 337.419 5 ↓

Analogs

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Popular Name: 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)-chromen-4-imine 6-chloro-N-(2-methoxyethyl)-2-(4…

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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) 5.14 -0.64 -9.27 0 4 0 43 343.81 5 ↓

Analogs

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Popular Name: 6-chloro-7-methyl-2-(4-tert-butylphenyl)-chromen-4-one 6-chloro-7-methyl-2-(4-tert-buty…

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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) 6.87 9.52 -27.66 2 3 1 47 342.846 2 ↓

Analogs

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Popular Name: (2S)-2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]-3-methyl-butanoic (2S)-2-[[2-(3,4-dimethoxyphenyl)…

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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) 3.88 11.89 -33.62 1 6 0 86 409.482 7 ↓

Parameters Provided:

ring.id = 42570
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 = 42570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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