UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-7-methoxy-chromen-2-one 4-[4-[(2-chloro-6-fluoro-phenyl)…

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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) 2.98 8.83 -11.06 0 6 0 63 430.863 4 ↓
Mid Mid (pH 6-8) 2.98 11.06 -46.87 1 6 1 64 431.871 4 ↓

Analogs

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Popular Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-7-isopropoxy-chromen-2-one 4-[4-[(2-chloro-6-fluoro-phenyl)…

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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) 3.72 10.4 -10.07 0 6 0 63 458.917 5 ↓
Mid Mid (pH 6-8) 3.72 12.62 -44.96 1 6 1 64 459.925 5 ↓

Analogs

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Popular Name: 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-7-isopropoxy-chromen-2-one 4-[4-[(4-fluorophenyl)methyl]pip…

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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) 3.13 10.11 -11.17 0 6 0 63 424.472 5 ↓
Mid Mid (pH 6-8) 3.13 12.32 -58.52 1 6 1 64 425.48 5 ↓

Analogs

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Popular Name: 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-7-isopropoxy-chromen-2-one 4-[4-[(2-fluorophenyl)methyl]pip…

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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) 3.09 10.12 -10.75 0 6 0 63 424.472 5 ↓
Mid Mid (pH 6-8) 3.09 12.33 -49.94 1 6 1 64 425.48 5 ↓

Analogs

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Popular Name: 4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-7-isopropoxy-chromen-2-one 4-[4-[(3-fluorophenyl)methyl]pip…

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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) 3.11 10.11 -11.21 0 6 0 63 424.472 5 ↓
Mid Mid (pH 6-8) 3.11 12.33 -57.05 1 6 1 64 425.48 5 ↓

Analogs

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Popular Name: 4-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-7-isopropoxy-chromen-2-one 4-[4-[(2-chlorophenyl)methyl]pip…

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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) 3.60 10.52 -9.98 0 6 0 63 440.927 5 ↓
Mid Mid (pH 6-8) 3.60 12.74 -48.61 1 6 1 64 441.935 5 ↓

Analogs

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Popular Name: 7-isopropoxy-4-[4-(o-tolylmethyl)piperazine-1-carbonyl]chromen-2-one 7-isopropoxy-4-[4-(o-tolylmethyl…

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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 11.07 -10.3 0 6 0 63 420.509 5 ↓
Mid Mid (pH 6-8) 3.37 12.94 -53.86 1 6 1 64 421.517 5 ↓

Analogs

41552122
41552122
41643418
41643418
41643420
41643420
41643488
41643488
41551479
41551479

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Popular Name: 4-(4-benzylpiperazine-1-carbonyl)-7-isopropoxy-chromen-2-one 4-(4-benzylpiperazine-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) 2.97 10.03 -9.64 0 6 0 63 406.482 5 ↓
Mid Mid (pH 6-8) 2.97 12.25 -52.16 1 6 1 64 407.49 5 ↓

Analogs

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Popular Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-7-ethoxy-chromen-2-one 4-[4-[(2-chloro-6-fluoro-phenyl)…

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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) 3.35 9.75 -10.71 0 6 0 63 444.89 5 ↓
Mid Mid (pH 6-8) 3.35 11.99 -46.74 1 6 1 64 445.898 5 ↓

Parameters Provided:

ring.id = 547339
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 = 547339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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