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

Analogs

52507717
52507717
12505588
12505588
12505589
12505589

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Popular Name: isopropyl isopropyl

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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) 4.64 4.92 -40.54 3 4 1 55 255.382 3 ↓

Analogs

52507717
52507717
12505588
12505588
12505589
12505589

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Popular Name: isopropyl isopropyl

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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) 4.64 4.92 -40.45 3 4 1 55 255.382 3 ↓

Analogs

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Popular Name: N-[(4R)-1-azaspiro[5.5]undecan-4-yl]-3-propoxy-propanamide N-[(4R)-1-azaspiro[5.5]undecan-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) 2.70 5.48 -41.13 3 4 1 55 283.436 6 ↓

Analogs

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Popular Name: N-[(4S)-1-azaspiro[5.5]undecan-4-yl]-3-propoxy-propanamide N-[(4S)-1-azaspiro[5.5]undecan-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) 2.70 5.48 -41.13 3 4 1 55 283.436 6 ↓

Analogs

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Popular Name: (3R)-N-[(10R)-7-azaspiro[5.5]undecan-10-yl]tetrahydropyran-3-carboxamide (3R)-N-[(10R)-7-azaspiro[5.5]und…

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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 4.81 -41.49 3 4 1 55 281.42 2 ↓

Analogs

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Popular Name: (3R)-N-[(10S)-7-azaspiro[5.5]undecan-10-yl]tetrahydropyran-3-carboxamide (3R)-N-[(10S)-7-azaspiro[5.5]und…

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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 4.81 -41.61 3 4 1 55 281.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(10R)-7-azaspiro[5.5]undecan-10-yl]tetrahydropyran-3-carboxamide (3S)-N-[(10R)-7-azaspiro[5.5]und…

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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 4.81 -41.64 3 4 1 55 281.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(10S)-7-azaspiro[5.5]undecan-10-yl]tetrahydropyran-3-carboxamide (3S)-N-[(10S)-7-azaspiro[5.5]und…

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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 4.81 -41.49 3 4 1 55 281.42 2 ↓

Analogs

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Popular Name: N-[(4R)-1-azaspiro[5.5]undecan-4-yl]-1H-pyrazole-3-carboxamide N-[(4R)-1-azaspiro[5.5]undecan-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) 1.90 3.42 -41.8 4 5 1 74 263.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-1-azaspiro[5.5]undecan-4-yl]-1H-pyrazole-3-carboxamide N-[(4S)-1-azaspiro[5.5]undecan-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) 1.90 3.42 -41.79 4 5 1 74 263.365 2 ↓

Analogs

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Popular Name: N-[(10R)-7-azaspiro[5.5]undecan-10-yl]-2,2,2-trifluoro-acetamide N-[(10R)-7-azaspiro[5.5]undecan-…

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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) 2.50 4.24 -42.44 3 3 1 46 265.299 2 ↓

Analogs

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Popular Name: N-[(10S)-7-azaspiro[5.5]undecan-10-yl]-2,2,2-trifluoro-acetamide N-[(10S)-7-azaspiro[5.5]undecan-…

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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) 2.50 4.24 -42.44 3 3 1 46 265.299 2 ↓

Analogs

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Popular Name: N-[(4R)-1-azaspiro[5.5]undecan-4-yl]-3-ethyl-thiophene-2-carboxamide N-[(4R)-1-azaspiro[5.5]undecan-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) 4.02 7.35 -40.95 3 3 1 46 307.483 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-1-azaspiro[5.5]undecan-4-yl]-3-ethyl-thiophene-2-carboxamide N-[(4S)-1-azaspiro[5.5]undecan-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) 4.02 7.35 -40.96 3 3 1 46 307.483 3 ↓

Analogs

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Popular Name: N-[(4R)-1-azaspiro[5.5]undecan-4-yl]-5-methyl-1H-pyrazole-4-sulfonamide N-[(4R)-1-azaspiro[5.5]undecan-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) 1.69 1.78 -49.33 4 6 1 91 313.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-1-azaspiro[5.5]undecan-4-yl]-5-methyl-1H-pyrazole-4-sulfonamide N-[(4S)-1-azaspiro[5.5]undecan-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) 1.69 1.74 -47.87 4 6 1 91 313.447 3 ↓

Analogs

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Popular Name: N-[(4R)-1-azaspiro[5.5]undecan-4-yl]cyclohexanesulfonamide N-[(4R)-1-azaspiro[5.5]undecan-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) 3.53 5.07 -46.37 3 4 1 63 315.503 3 ↓

Analogs

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Popular Name: N-[(4S)-1-azaspiro[5.5]undecan-4-yl]cyclohexanesulfonamide N-[(4S)-1-azaspiro[5.5]undecan-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) 3.53 4.9 -50.46 3 4 1 63 315.503 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) 1.49 2.33 -57.95 3 6 1 89 305.42 5 ↓

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) 1.49 2.42 -53.74 3 6 1 89 305.42 5 ↓

Parameters Provided:

ring.id = 4763
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 = 4763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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