UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017072
35017072

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclooctanamine N-[(1S)-2-methyl-1-(2-thienyl)pr…

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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) 5.62 9.32 -33.88 2 1 1 17 266.474 4 ↓

Analogs

35017070
35017070

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclooctanamine N-[(1R)-2-methyl-1-(2-thienyl)pr…

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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) 5.62 9.53 -32.04 2 1 1 17 266.474 4 ↓

Analogs

48252978
48252978
48252979
48252979
48412149
48412149
48412150
48412150
22502384
22502384

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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) 4.32 8.97 -30.18 2 3 1 43 296.456 6 ↓
Hi High (pH 8-9.5) 4.32 8.06 -4.06 1 3 0 38 295.448 6 ↓

Analogs

48252978
48252978
48252979
48252979
48412149
48412149
48412150
48412150
22502384
22502384

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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) 4.32 8.99 -30.14 2 3 1 43 296.456 6 ↓
Hi High (pH 8-9.5) 4.32 7.79 -3.56 1 3 0 38 295.448 6 ↓

Analogs

13389103
13389103
13389105
13389105

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Popular Name: (3R)-3-(cyclooctylamino)-3-(2-thienyl)propanoic (3R)-3-(cyclooctylamino)-3-(2-th…

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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) 4.01 8.73 -28.08 2 3 0 57 281.421 5 ↓

Analogs

13389103
13389103
13389105
13389105

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Popular Name: (3S)-3-(cyclooctylamino)-3-(2-thienyl)propanoic (3S)-3-(cyclooctylamino)-3-(2-th…

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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) 4.01 8.94 -27.45 2 3 0 57 281.421 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-methyl-2-thienyl)ethyl]cyclooctanamine N-[(1R)-1-(3-methyl-2-thienyl)et…

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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) 5.25 8.57 -32.81 2 1 1 17 252.447 3 ↓
Hi High (pH 8-9.5) 5.25 7.64 -1.96 1 1 0 12 251.439 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]cyclooctanamine N-[(1S)-1-(3-methyl-2-thienyl)et…

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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) 5.25 8.67 -33.7 2 1 1 17 252.447 3 ↓
Hi High (pH 8-9.5) 5.25 7.67 -1.29 1 1 0 12 251.439 3 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-ethyl-N-(2-thienylmethyl)cyclooctanamine 1-(aminomethyl)-N-ethyl-N-(2-thi…

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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) 3.81 6.52 -49.74 3 2 1 31 281.489 5 ↓
Lo Low (pH 4.5-6) 3.81 7.62 -119.13 4 2 2 32 282.497 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]cyclooctanamine N-[(1S)-1-(3-bromo-2-thienyl)eth…

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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) 5.61 8.66 -33.91 2 1 1 17 317.316 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]cyclooctanamine N-[(1R)-1-(3-bromo-2-thienyl)eth…

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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) 5.61 8.76 -34.61 2 1 1 17 317.316 3 ↓

Analogs

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Popular Name: [1-(2-thienylmethylamino)cyclooctyl]methanol [1-(2-thienylmethylamino)cyclooc…

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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 5.28 -31.58 3 2 1 37 254.419 4 ↓
Hi High (pH 8-9.5) 3.75 4.1 -3.9 2 2 0 32 253.411 4 ↓

Parameters Provided:

ring.id = 14888
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 = 14888 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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