UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41551404
41551404
40762943
40762943
40762941
40762941
40762939
40762939
40763072
40763072

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Popular Name: 4-(4-acetylpiperazine-1-carbonyl)-7-methoxy-chromen-2-one 4-(4-acetylpiperazine-1-carbonyl…

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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) 0.19 6.17 -16.25 0 7 0 80 330.34 2 ↓

Analogs

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Popular Name: 7-methoxy-4-(4-propylpiperazine-1-carbonyl)chromen-2-one 7-methoxy-4-(4-propylpiperazine-…

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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) 1.71 8.53 -51.29 1 6 1 64 331.392 4 ↓
Mid Mid (pH 6-8) 1.71 6.32 -9.68 0 6 0 63 330.384 4 ↓

Analogs

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Popular Name: 7-isopropoxy-4-(4-methylsulfonylpiperazine-1-carbonyl)chromen-2-one 7-isopropoxy-4-(4-methylsulfonyl…

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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) 0.95 5.35 -17.12 0 8 0 97 394.449 4 ↓

Analogs

41552134
41552134
41643418
41643418
41643420
41643420
41643488
41643488
41552029
41552029

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Popular Name: 7-isopropoxy-4-(4-propylpiperazine-1-carbonyl)chromen-2-one 7-isopropoxy-4-(4-propylpiperazi…

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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) 2.45 10.1 -51.07 1 6 1 64 359.446 5 ↓
Mid Mid (pH 6-8) 2.45 7.89 -9.17 0 6 0 63 358.438 5 ↓

Analogs

41551479
41551479
41552029
41552029
41552122
41552122

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Popular Name: 7-isopropoxy-4-(4-methylpiperazine-1-carbonyl)chromen-2-one 7-isopropoxy-4-(4-methylpiperazi…

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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) 1.57 8.68 -49.51 1 6 1 64 331.392 3 ↓
Mid Mid (pH 6-8) 1.57 6.33 -8.85 0 6 0 63 330.384 3 ↓

Analogs

41551479
41551479
41552029
41552029
41552122
41552122

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Popular Name: 4-(4-ethylpiperazine-1-carbonyl)-7-isopropoxy-chromen-2-one 4-(4-ethylpiperazine-1-carbonyl)…

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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) 1.95 9.35 -50.26 1 6 1 64 345.419 4 ↓
Mid Mid (pH 6-8) 1.95 7.14 -9.21 0 6 0 63 344.411 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.02 8.5 -13.23 0 8 0 89 388.42 5 ↓

Parameters Provided:

ring.id = 547304
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 = 547304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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