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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.08 9.9 -16.03 0 4 0 47 287.359 3 ↓

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) 2.08 9.85 -14.62 0 4 0 47 287.359 3 ↓

Analogs

13167165
13167165

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Popular Name: 1-(indane-5-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(indane-5-carbonyl)-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) 1.59 9.16 -51.28 0 4 -1 60 286.351 2 ↓

Analogs

13170619
13170619

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Popular Name: (3S)-1-(indane-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(indane-5-carbonyl)-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) 1.59 9.6 -53.76 0 4 -1 60 286.351 2 ↓

Analogs

13170619
13170619

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Popular Name: (3R)-1-(indane-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(indane-5-carbonyl)-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) 1.59 9.59 -53.78 0 4 -1 60 286.351 2 ↓

Analogs

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Popular Name: 2-[(2R)-1-(indane-5-carbonyl)-2-piperidyl]acetamide 2-[(2R)-1-(indane-5-carbonyl)-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) 2.44 6.57 -11.16 2 4 0 63 286.375 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(indane-5-carbonyl)-2-piperidyl]acetamide 2-[(2S)-1-(indane-5-carbonyl)-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) 2.44 6.53 -10.86 2 4 0 63 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-1-(indane-5-carbonyl)-2-piperidyl]ethyl]methanesulfonamide N-[2-[(2S)-1-(indane-5-carbonyl)…

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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) 1.65 5.62 -16.53 1 5 0 66 350.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-1-(indane-5-carbonyl)-2-piperidyl]ethyl]methanesulfonamide N-[2-[(2R)-1-(indane-5-carbonyl)…

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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) 1.65 5.61 -17.34 1 5 0 66 350.484 5 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-indan-5-yl-methanone [4-(2-aminoethyl)-1-piperidyl]-i…

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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) 1.35 6.94 -53.5 3 3 1 48 273.4 3 ↓

Analogs

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Popular Name: indan-5-yl-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone indan-5-yl-[4-[2-(methylamino)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) 2.33 8.83 -48.48 2 3 1 37 287.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: indan-5-yl-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone indan-5-yl-[(2S)-2-[2-(methylami…

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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) 2.27 8.72 -36.4 2 3 1 37 287.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: indan-5-yl-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone indan-5-yl-[(2R)-2-[2-(methylami…

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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) 2.27 8.71 -36.38 2 3 1 37 287.427 4 ↓

Parameters Provided:

ring.id = 180004
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 = 180004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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