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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3S)-1-[(5-tert-butyloxazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyloxazol-2-yl…

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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) 2.21 6.06 -47.08 1 5 0 71 266.341 4 ↓
Hi High (pH 8-9.5) 2.21 3.67 -50.77 0 5 -1 69 265.333 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyloxazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyloxazol-2-yl…

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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) 2.21 6.05 -44.3 1 5 0 71 266.341 4 ↓
Hi High (pH 8-9.5) 2.21 3.59 -45.45 0 5 -1 69 265.333 4 ↓

Analogs

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Popular Name: (3R)-1-[(4,5-dimethyloxazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(4,5-dimethyloxazol-2-yl…

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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) 0.70 4.75 -45.19 1 5 0 71 238.287 3 ↓
Hi High (pH 8-9.5) 0.70 2.24 -46.54 0 5 -1 69 237.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4,5-dimethyloxazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(4,5-dimethyloxazol-2-yl…

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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) 0.70 4.77 -45.91 1 5 0 71 238.287 3 ↓
Hi High (pH 8-9.5) 0.70 2.24 -46.94 0 5 -1 69 237.279 3 ↓

Analogs

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Popular Name: (3S)-1-[(5-tert-butyloxazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyloxazol-2-yl…

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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) 2.54 6.65 -43.86 1 5 0 71 280.368 5 ↓
Hi High (pH 8-9.5) 2.54 4.23 -46.1 0 5 -1 69 279.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-tert-butyloxazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyloxazol-2-yl…

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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) 2.54 6.52 -43.14 1 5 0 71 280.368 5 ↓
Hi High (pH 8-9.5) 2.54 4.06 -44.44 0 5 -1 69 279.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4,5-dimethyloxazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(4,5-dimethyloxazol-2-yl…

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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) 1.04 5.34 -44.96 1 5 0 71 252.314 4 ↓
Hi High (pH 8-9.5) 1.04 2.84 -47.51 0 5 -1 69 251.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4,5-dimethyloxazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(4,5-dimethyloxazol-2-yl…

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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) 1.04 5.22 -43.85 1 5 0 71 252.314 4 ↓
Hi High (pH 8-9.5) 1.04 2.68 -45.63 0 5 -1 69 251.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-tert-butyloxazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyloxazol-2-yl…

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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) 3.10 7.42 -43.84 1 5 0 71 294.395 6 ↓
Hi High (pH 8-9.5) 3.10 5 -46.46 0 5 -1 69 293.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-tert-butyloxazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyloxazol-2-yl…

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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) 3.10 7.29 -43.11 1 5 0 71 294.395 6 ↓
Hi High (pH 8-9.5) 3.10 4.83 -44.87 0 5 -1 69 293.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4,5-dimethyloxazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(4,5-dimethyloxazol-2-yl…

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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) 1.60 6.04 -45.69 1 5 0 71 266.341 5 ↓
Hi High (pH 8-9.5) 1.60 3.49 -53.68 0 5 -1 69 265.333 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4,5-dimethyloxazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(4,5-dimethyloxazol-2-yl…

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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) 1.60 5.98 -43.84 1 5 0 71 266.341 5 ↓
Hi High (pH 8-9.5) 1.60 3.44 -46.06 0 5 -1 69 265.333 5 ↓

Analogs

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Popular Name: (2R)-1-[(5-tert-butyloxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2R)-1-[(5-tert-butyloxazol-2-yl…

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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) 2.64 4.67 -39.38 2 5 1 60 334.362 6 ↓
Hi High (pH 8-9.5) 2.64 2.68 -12.72 1 5 0 58 333.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5-tert-butyloxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2S)-1-[(5-tert-butyloxazol-2-yl…

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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) 2.64 4.13 -35.94 2 5 1 60 334.362 6 ↓
Hi High (pH 8-9.5) 2.64 1.95 -8.72 1 5 0 58 333.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5-tert-butyloxazol-2-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(5-tert-butyloxazol-2-yl…

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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) 1.71 3.36 -37.79 2 5 1 60 266.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5-tert-butyloxazol-2-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(5-tert-butyloxazol-2-yl…

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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) 1.71 3.37 -36.03 2 5 1 60 266.365 4 ↓

Parameters Provided:

ring.id = 9570
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 = 9570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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