UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35892286
35892286

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-phenyl-methanone [4-(cyclohexylBLAHyl)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) 5.65 15.29 -10.08 0 5 0 49 474.674 3 ↓

Analogs

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(4-fluorophenyl)methanone [4-(cyclohexylBLAHyl)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) 5.81 15.36 -9.5 0 5 0 49 492.664 3 ↓

Analogs

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(4-methoxyphenyl)methanone [4-(cyclohexylBLAHyl)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) 5.71 14.6 -10.35 0 6 0 59 504.7 4 ↓

Analogs

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(3-nitrophenyl)methanone [4-(cyclohexylBLAHyl)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) 5.59 15.99 -15.66 0 8 0 95 519.671 4 ↓

Analogs

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(2-fluorophenyl)methanone [4-(cyclohexylBLAHyl)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) 5.77 15.45 -12.51 0 5 0 49 492.664 3 ↓

Analogs

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone [4-(cyclohexylBLAHyl)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) 5.69 13.89 -11.38 0 7 0 68 534.726 5 ↓

Analogs

35892418
35892418
35892420
35892420

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone [4-(cyclohexylBLAHyl)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) 5.99 16.64 -15.22 0 8 0 95 533.698 4 ↓

Analogs

35892438
35892438
35892440
35892440
35552631
35552631

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone [4-(cyclohexylBLAHyl)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) 5.67 14.2 -15.08 0 7 0 68 534.726 5 ↓

Analogs

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(3-methoxyphenyl)methanone [4-(cyclohexylBLAHyl)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) 5.68 14.59 -10.22 0 6 0 59 504.7 4 ↓

Analogs

35892242
35892242

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(cyclohexylBLAHyl)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) 6.57 16.73 -9.68 0 5 0 49 502.728 4 ↓

Analogs

35892476
35892476
35892477
35892477

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Popular Name: [4-(cyclohexylBLAHyl)piperazin-1-yl]-(2-methoxyphenyl)methanone [4-(cyclohexylBLAHyl)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) 6.21 14.88 -12.88 0 6 0 59 504.7 4 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[4-(cyclohexylBLAHyl)piperazin-1-yl]methanone (3-chlorophenyl)-[4-(cyclohexylB…

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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) 6.30 15.8 -10.65 0 5 0 49 509.119 3 ↓

Parameters Provided:

ring.id = 39936
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 = 39936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=39936&filter.purchasability=annotated

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