UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-1-(1-adamantylmethyl)piperidin-3-ol (3S)-1-(1-adamantylmethyl)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) 3.04 6.87 -35.4 2 2 1 25 250.406 2 ↓

Analogs

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Popular Name: (3R)-1-(1-adamantylmethyl)piperidin-3-ol (3R)-1-(1-adamantylmethyl)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) 3.04 6.87 -35.37 2 2 1 25 250.406 2 ↓

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) 3.92 10.86 -43.64 1 3 1 31 292.443 4 ↓

Analogs

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Popular Name: 1-(1-adamantylmethyl)-4-methyl-piperidine-4-carboxylic 1-(1-adamantylmethyl)-4-methyl-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) 3.54 11.06 -58.02 1 3 0 45 291.435 3 ↓

Analogs

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Popular Name: (3S)-1-(1-adamantylmethyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(1-adamantylmethyl)-3-met…

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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) 3.54 11.24 -47.04 1 3 0 45 291.435 3 ↓

Analogs

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Popular Name: (3R)-1-(1-adamantylmethyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(1-adamantylmethyl)-3-met…

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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) 3.54 11.2 -46.65 1 3 0 45 291.435 3 ↓

Analogs

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Popular Name: 2-[1-(1-adamantylmethyl)-4-piperidyl]-N-methyl-ethanamine 2-[1-(1-adamantylmethyl)-4-piper…

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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) 4.29 10.73 -93.66 3 2 2 21 292.511 5 ↓

Analogs

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Popular Name: 2-[(2S)-1-(1-adamantylmethyl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(1-adamantylmethyl)-2-…

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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) 4.23 10.55 -107.32 3 2 2 21 292.511 5 ↓
Hi High (pH 8-9.5) 4.23 9.12 -33.46 2 2 1 16 291.503 5 ↓
Hi High (pH 8-9.5) 4.23 8.82 -40.12 2 2 1 20 291.503 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-(1-adamantylmethyl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(1-adamantylmethyl)-2-…

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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) 4.23 10.61 -107.63 3 2 2 21 292.511 5 ↓
Hi High (pH 8-9.5) 4.23 9 -40.56 2 2 1 20 291.503 5 ↓
Hi High (pH 8-9.5) 4.23 9.16 -33.03 2 2 1 16 291.503 5 ↓

Analogs

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Popular Name: 1-[(1S)-1-(1-adamantyl)ethyl]-N-methyl-piperidin-4-amine 1-[(1S)-1-(1-adamantyl)ethyl]-N-…

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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) 3.78 7.98 -33.67 2 2 1 16 277.476 3 ↓
Mid Mid (pH 6-8) 3.78 7.54 -36.7 2 2 1 20 277.476 3 ↓
Mid Mid (pH 6-8) 3.78 9.23 -106.34 3 2 2 21 278.484 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(1-adamantyl)ethyl]-N-methyl-piperidin-4-amine 1-[(1R)-1-(1-adamantyl)ethyl]-N-…

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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) 3.78 8.04 -32.95 2 2 1 16 277.476 3 ↓
Mid Mid (pH 6-8) 3.78 7.54 -36.71 2 2 1 20 277.476 3 ↓
Mid Mid (pH 6-8) 3.78 9.3 -106 3 2 2 21 278.484 3 ↓

Parameters Provided:

ring.id = 110383
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 = 110383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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