UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 2.80 7.33 -49.78 3 6 1 72 348.467 9 ↓

Analogs

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Popular Name: 4-methyl-N-[5-(1-piperidyl)pentyl]benzamide 4-methyl-N-[5-(1-piperidyl)penty…

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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) 3.56 9.79 -41.18 2 3 1 34 289.443 7 ↓

Analogs

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Popular Name: 3,4-dimethoxy-N-[5-(1-piperidyl)pentyl]benzamide 3,4-dimethoxy-N-[5-(1-piperidyl)…

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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) 2.76 8.33 -45.25 2 5 1 52 335.468 9 ↓

Analogs

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Popular Name: 2-chloro-N-[5-(1-piperidyl)pentyl]benzamide 2-chloro-N-[5-(1-piperidyl)penty…

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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) 3.75 9.63 -42.67 2 3 1 34 309.861 7 ↓

Analogs

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Popular Name: 3-chloro-N-[5-(1-piperidyl)pentyl]benzamide 3-chloro-N-[5-(1-piperidyl)penty…

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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 9.63 -39.22 2 3 1 34 309.861 7 ↓

Analogs

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Popular Name: 4-bromo-N-[5-(1-piperidyl)pentyl]benzamide 4-bromo-N-[5-(1-piperidyl)pentyl…

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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) 3.92 9.74 -40.99 2 3 1 34 354.312 7 ↓

Analogs

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Popular Name: 4-chloro-N-[5-(1-piperidyl)pentyl]benzamide 4-chloro-N-[5-(1-piperidyl)penty…

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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) 3.79 9.63 -41.04 2 3 1 34 309.861 7 ↓

Analogs

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Popular Name: N-[5-(1-piperidyl)pentyl]benzamide N-[5-(1-piperidyl)pentyl]benzamide

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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) 3.12 9.11 -41.25 2 3 1 34 275.416 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[5-(1-piperidyl)pentyl]benzamide 2-methoxy-N-[5-(1-piperidyl)pent…

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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) 3.67 9.67 -43.9 2 4 1 43 305.442 8 ↓

Analogs

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Popular Name: 3-fluoro-N-[5-(1-piperidyl)pentyl]benzamide 3-fluoro-N-[5-(1-piperidyl)penty…

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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) 3.26 9.18 -39.5 2 3 1 34 293.406 7 ↓

Analogs

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Popular Name: 2-bromo-N-[5-(1-piperidyl)pentyl]benzamide 2-bromo-N-[5-(1-piperidyl)pentyl…

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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) 3.88 9.74 -42.11 2 3 1 34 354.312 7 ↓

Analogs

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Popular Name: 3-(dimethylamino)-N-[5-(1-piperidyl)pentyl]benzamide 3-(dimethylamino)-N-[5-(1-piperi…

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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) 3.19 9.53 -42.12 2 4 1 37 318.485 8 ↓

Analogs

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Popular Name: 3,4-difluoro-N-[5-(1-piperidyl)pentyl]benzamide 3,4-difluoro-N-[5-(1-piperidyl)p…

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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 9.23 -40.44 2 3 1 34 311.396 7 ↓

Parameters Provided:

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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 = 431023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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