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

Analogs

11842833
11842833

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Popular Name: 2-methyl-N-[2-[1-[(2R)-spiro[2.4]heptane-2-carbonyl]-4-piperidyl]pyrazol-3-yl]benzamide 2-methyl-N-[2-[1-[(2R)-spiro[2.4…

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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) 3.64 0.28 -15.96 1 6 0 67 406.53 4 ↓

Analogs

11842832
11842832

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Popular Name: 2-methyl-N-[2-[1-[(2S)-spiro[2.4]heptane-2-carbonyl]-4-piperidyl]pyrazol-3-yl]benzamide 2-methyl-N-[2-[1-[(2S)-spiro[2.4…

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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) 3.64 0.21 -16.44 1 6 0 67 406.53 4 ↓

Analogs

12040454
12040454

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Popular Name: (2R)-N-[[4-(benzyl-ethyl-amino)quinazolin-2-yl]methyl]spiro[2.4]heptane-2-carboxamide (2R)-N-[[4-(benzyl-ethyl-amino)q…

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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) 4.62 -2.69 -9.01 1 5 0 58 414.553 7 ↓

Analogs

12040447
12040447

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Popular Name: (2S)-N-[[4-(benzyl-ethyl-amino)quinazolin-2-yl]methyl]spiro[2.4]heptane-2-carboxamide (2S)-N-[[4-(benzyl-ethyl-amino)q…

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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) 4.62 -3.33 -9.86 1 5 0 58 414.553 7 ↓

Analogs

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Popular Name: (1S,2R)-2-(2-methylprop-1-enyl)spiro[2.4]heptane-1-carboxylic (1S,2R)-2-(2-methylprop-1-enyl)s…

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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 8.56 -50.73 0 2 -1 40 193.266 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(2-methylprop-1-enyl)spiro[2.4]heptane-1-carboxylic (1S,2S)-2-(2-methylprop-1-enyl)s…

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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 8.69 -50.06 0 2 -1 40 193.266 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(2-methylprop-1-enyl)spiro[2.4]heptane-1-carboxylic (1R,2R)-2-(2-methylprop-1-enyl)s…

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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 8.7 -49.16 0 2 -1 40 193.266 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(2-methylprop-1-enyl)spiro[2.4]heptane-1-carboxylic (1R,2S)-2-(2-methylprop-1-enyl)s…

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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 8.57 -50.84 0 2 -1 40 193.266 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.55 9.63 -5.01 0 2 0 26 222.328 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.55 9.69 -4.41 0 2 0 26 222.328 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.55 9.62 -3.73 0 2 0 26 222.328 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.55 9.63 -5.01 0 2 0 26 222.328 4 ↓

Analogs

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Popular Name: 2-isopentyl-8-[(2R)-spiro[2.4]heptane-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one 2-isopentyl-8-[(2R)-spiro[2.4]he…

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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) 3.03 8.03 -18.1 1 5 0 62 345.487 4 ↓
Lo Low (pH 4.5-6) 3.03 8.74 -44.15 2 5 1 63 346.495 4 ↓

Analogs

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Popular Name: 2-isopentyl-8-[(2S)-spiro[2.4]heptane-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one 2-isopentyl-8-[(2S)-spiro[2.4]he…

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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) 3.03 7.93 -18.24 1 5 0 62 345.487 4 ↓
Lo Low (pH 4.5-6) 3.03 8.64 -45.58 2 5 1 63 346.495 4 ↓

Analogs

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Popular Name: (2R)-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]spiro[2.4]heptane-2-carboxamide (2R)-N-[[2-(2,6-dimethylphenoxy)…

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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) 4.52 9.12 -10.38 1 4 0 51 350.462 5 ↓

Analogs

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Popular Name: (2S)-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]spiro[2.4]heptane-2-carboxamide (2S)-N-[[2-(2,6-dimethylphenoxy)…

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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) 4.52 8.93 -10.69 1 4 0 51 350.462 5 ↓

Analogs

38582441
38582441
39064833
39064833
39064834
39064834

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Popular Name: Spiro[2.4]heptane-1-carboxamide, 2-methyl- (9CI) Spiro[2.4]heptane-1-carboxamide,…

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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) 1.75 2.9 -6.74 2 2 0 43 153.225 1 ↓

Analogs

39064833
39064833
39064834
39064834
38582439
38582439

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Popular Name: Spiro[2.4]heptane-1-carboxamide, 2-methyl- (9CI) Spiro[2.4]heptane-1-carboxamide,…

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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) 1.75 2.78 -6.96 2 2 0 43 153.225 1 ↓

Parameters Provided:

ring.id = 60203
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 = 60203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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