UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40952511
40952511
40952513
40952513
40952515
40952515
40952517
40952517

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Popular Name: cyclohexyl cyclohexyl

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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) 3.42 7.51 -8.44 1 4 0 48 261.321 3 ↓

Analogs

40952511
40952511
40952513
40952513
40952515
40952515
40952517
40952517

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Popular Name: cyclohexyl cyclohexyl

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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) 3.42 7.51 -8.39 1 4 0 48 261.321 3 ↓

Analogs

40953387
40953387
40953389
40953389
40953391
40953391
40953393
40953393

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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 8.11 -8.09 1 4 0 48 275.348 3 ↓

Analogs

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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 8.11 -8.24 1 4 0 48 275.348 3 ↓

Analogs

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Popular Name: [(1S,2R)-2-methylcyclohexyl] [(1S,2R)-2-methylcyclohexyl]

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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 8.12 -8.2 1 4 0 48 275.348 3 ↓

Analogs

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Popular Name: [(1S,2S)-2-methylcyclohexyl] [(1S,2S)-2-methylcyclohexyl]

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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 8.11 -8.43 1 4 0 48 275.348 3 ↓

Analogs

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Popular Name: [(1R,2R)-2-methylcyclohexyl] [(1R,2R)-2-methylcyclohexyl]

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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 8.11 -8.34 1 4 0 48 275.348 3 ↓

Analogs

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Popular Name: [(1R,2S)-2-methylcyclohexyl] [(1R,2S)-2-methylcyclohexyl]

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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 8.12 -8.08 1 4 0 48 275.348 3 ↓

Analogs

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Popular Name: [(1S,2R)-2-ethylcyclohexyl] [(1S,2R)-2-ethylcyclohexyl]

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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) 4.16 8.78 -8.07 1 4 0 48 289.375 4 ↓

Analogs

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Popular Name: [(1S,2S)-2-ethylcyclohexyl] [(1S,2S)-2-ethylcyclohexyl]

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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) 4.16 8.75 -8.23 1 4 0 48 289.375 4 ↓

Analogs

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Popular Name: [(1R,2R)-2-ethylcyclohexyl] [(1R,2R)-2-ethylcyclohexyl]

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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) 4.16 8.75 -8.31 1 4 0 48 289.375 4 ↓

Analogs

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Popular Name: [(1R,2S)-2-ethylcyclohexyl] [(1R,2S)-2-ethylcyclohexyl]

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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) 4.16 8.78 -8.12 1 4 0 48 289.375 4 ↓

Analogs

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Popular Name: [(1S,3R)-3-methoxycyclohexyl] [(1S,3R)-3-methoxycyclohexyl]

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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) 2.65 6.5 -8.49 1 5 0 57 291.347 4 ↓

Analogs

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Popular Name: [(1S,3S)-3-methoxycyclohexyl] [(1S,3S)-3-methoxycyclohexyl]

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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) 2.65 6.52 -8.61 1 5 0 57 291.347 4 ↓

Analogs

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Popular Name: [(1R,3R)-3-methoxycyclohexyl] [(1R,3R)-3-methoxycyclohexyl]

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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) 2.65 6.65 -10.94 1 5 0 57 291.347 4 ↓

Analogs

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Popular Name: [(1R,3S)-3-methoxycyclohexyl] [(1R,3S)-3-methoxycyclohexyl]

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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) 2.65 6.5 -8.56 1 5 0 57 291.347 4 ↓

Parameters Provided:

ring.id = 22056
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 = 22056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=22056&filter.purchasability=annotated

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