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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

35892614
35892614
35892642
35892642

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-phenyl-methanone [4-(benzylBLAHyl)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) 5.72 15.87 -11.02 0 5 0 49 482.653 4 ↓

Analogs

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(4-fluorophenyl)methanone [4-(benzylBLAHyl)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) 5.89 15.94 -10.45 0 5 0 49 500.643 4 ↓

Analogs

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(4-methoxyphenyl)methanone [4-(benzylBLAHyl)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) 5.78 15.13 -11.47 0 6 0 59 512.679 5 ↓

Analogs

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(4-chlorophenyl)methanone [4-(benzylBLAHyl)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) 6.40 16.39 -10.13 0 5 0 49 517.098 4 ↓

Analogs

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(4-nitrophenyl)methanone [4-(benzylBLAHyl)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) 5.68 16.59 -12.91 0 8 0 95 527.65 5 ↓

Analogs

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(3-nitrophenyl)methanone [4-(benzylBLAHyl)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) 5.66 16.58 -16.43 0 8 0 95 527.65 5 ↓

Analogs

35892642
35892642
35892600
35892600

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(p-tolyl)methanone [4-(benzylBLAHyl)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) 6.17 16.49 -10.99 0 5 0 49 496.68 4 ↓

Analogs

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(o-tolyl)methanone [4-(benzylBLAHyl)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) 6.12 16.57 -10.47 0 5 0 49 496.68 4 ↓

Analogs

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Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(2-fluorophenyl)methanone [4-(benzylBLAHyl)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) 5.84 15.95 -13.84 0 5 0 49 500.643 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(3-methoxyphenyl)methanone [4-(benzylBLAHyl)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) 5.76 15.12 -11.28 0 6 0 59 512.679 5 ↓

Analogs

35892600
35892600
35892614
35892614

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(benzylBLAHyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(benzylBLAHyl)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) 6.64 17.26 -10.86 0 5 0 49 510.707 5 ↓

Parameters Provided:

ring.id = 40439
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 = 40439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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