UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6998290
6998290
6998309
6998309

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Popular Name: 8-chloro-4-(4-phenylpiperazin-1-yl)cinnoline 8-chloro-4-(4-phenylpiperazin-1-…

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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) 3.77 7.03 -8.62 0 4 0 32 324.815 2 ↓
Mid Mid (pH 6-8) 3.77 7.16 -26.52 1 4 1 34 325.823 2 ↓

Analogs

41529859
41529859
41529862
41529862

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Popular Name: 4-(4-phenylpiperazin-1-yl)cinnoline-3-carbonitrile 4-(4-phenylpiperazin-1-yl)cinnol…

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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) 3.54 9.34 -10.09 0 5 0 56 315.38 2 ↓

Analogs

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Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-(2-fluorophenyl)piperazin-1…

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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) 3.66 9.86 -12.03 0 5 0 56 333.37 2 ↓

Analogs

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Popular Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-(4-fluorophenyl)piperazin-1…

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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) 3.71 9.42 -11.68 0 5 0 56 333.37 2 ↓

Analogs

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Popular Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-(2-methoxyphenyl)piperazin-…

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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) 3.55 9.16 -9.28 0 6 0 65 345.406 3 ↓

Analogs

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Popular Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-(4-methoxyphenyl)piperazin-…

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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 8.63 -11.87 0 6 0 65 345.406 3 ↓

Analogs

41530438
41530438
41530441
41530441

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Popular Name: 6-methyl-4-(4-phenylpiperazin-1-yl)cinnoline-3-carbonitrile 6-methyl-4-(4-phenylpiperazin-1-…

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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 10 -9.3 0 5 0 56 329.407 2 ↓

Analogs

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Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-(2-fluorophenyl)piperazin-1…

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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) 4.08 10.52 -11.24 0 5 0 56 347.397 2 ↓

Analogs

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Popular Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-(4-fluorophenyl)piperazin-1…

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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) 4.13 10.07 -10.9 0 5 0 56 347.397 2 ↓

Analogs

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Popular Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-(2-methoxyphenyl)piperazin-…

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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) 3.98 9.81 -9.65 0 6 0 65 359.433 3 ↓

Analogs

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Popular Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-(4-methoxyphenyl)piperazin-…

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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) 4.02 9.28 -11.02 0 6 0 65 359.433 3 ↓

Parameters Provided:

ring.id = 86619
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 = 86619 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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