UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(4-aminophenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone [4-(4-aminophenyl)piperazin-1-yl…

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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) -0.05 4.08 -10.84 2 6 0 67 285.351 2 ↓

Analogs

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Popular Name: [4-(3-aminophenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone [4-(3-aminophenyl)piperazin-1-yl…

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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) -0.08 4.09 -10.98 2 6 0 67 285.351 2 ↓

Analogs

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Popular Name: [4-(2-aminophenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone [4-(2-aminophenyl)piperazin-1-yl…

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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) 0.31 5.03 -9.68 2 6 0 67 285.351 2 ↓

Analogs

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Popular Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone [4-(2,3-dimethylphenyl)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) 1.60 6.97 -11.18 1 5 0 52 284.363 2 ↓

Analogs

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Popular Name: [4-(4-chlorophenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone [4-(4-chlorophenyl)piperazin-1-y…

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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) 1.48 5.46 -12.8 1 5 0 52 290.754 2 ↓

Analogs

37841415
37841415

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Popular Name: (4-phenylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (4-phenylpiperazin-1-yl)-(1H-pyr…

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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) 0.80 4.94 -12.3 1 5 0 52 256.309 2 ↓

Analogs

37841416
37841416

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Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (3,5-dimethyl-1H-pyrazol-4-yl)-(…

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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) 1.25 6.3 -9.99 1 5 0 52 284.363 2 ↓

Analogs

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Popular Name: [4-(m-tolyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone [4-(m-tolyl)piperazin-1-yl]-(1H-…

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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) 1.23 5.6 -12.31 1 5 0 52 270.336 2 ↓

Analogs

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Popular Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (5-chloro-1,3-dimethyl-pyrazol-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) 2.77 7.32 -9.82 0 5 0 41 386.805 3 ↓

Analogs

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Popular Name: [4-(2-fluorophenyl)piperazino][1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanone [4-(2-fluorophenyl)piperazino][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) 2.12 1.5 -15.06 0 5 0 41 356.323 3 ↓

Analogs

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Popular Name: [4-(4-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone [4-(4-chlorophenyl)piperazin-1-y…

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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) 1.70 6.03 -9.43 1 5 0 52 304.781 2 ↓

Analogs

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Popular Name: [4-(4-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone [4-(4-chlorophenyl)piperazin-1-y…

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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) 1.77 7.28 -10.27 0 5 0 41 318.808 2 ↓

Analogs

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Popular Name: [4-(4-aminophenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone [4-(4-aminophenyl)piperazin-1-yl…

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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) -0.12 2.81 -12.82 3 6 0 78 271.324 2 ↓
Lo Low (pH 4.5-6) -0.12 2.67 -53.29 4 6 1 80 272.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-aminophenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone [4-(3-aminophenyl)piperazin-1-yl…

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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) -0.14 2.81 -12.92 3 6 0 78 271.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminophenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone [4-(2-aminophenyl)piperazin-1-yl…

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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) 0.24 3.7 -11.11 3 6 0 78 271.324 2 ↓
Lo Low (pH 4.5-6) 0.24 3.55 -49.62 4 6 1 80 272.332 2 ↓

Analogs

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Popular Name: (3-isopropyl-1-methyl-pyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (3-isopropyl-1-methyl-pyrazol-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) 2.21 7.46 -13.58 0 6 0 51 342.443 4 ↓

Analogs

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Popular Name: (1-ethylpyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (1-ethylpyrazol-4-yl)-[4-(4-nitr…

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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) 1.21 7.8 -15.63 0 8 0 87 329.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone [4-(3-chlorophenyl)piperazin-1-y…

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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) 1.90 6.81 -10.62 1 5 0 52 318.808 2 ↓

Analogs

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Popular Name: [4-(o-tolyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone [4-(o-tolyl)piperazin-1-yl]-(1H-…

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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) 1.20 6.43 -11.14 1 5 0 52 270.336 2 ↓

Parameters Provided:

ring.id = 15756
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 = 15756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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