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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: 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) 2.80 8.93 -40.09 1 5 1 57 307.395 6 ↓
Mid Mid (pH 6-8) 2.80 7.09 -14.43 0 5 0 56 306.387 6 ↓

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) 2.80 8.7 -34.92 1 5 1 57 307.395 6 ↓
Mid Mid (pH 6-8) 2.80 6.46 -8.84 0 5 0 56 306.387 6 ↓

Analogs

52245803
52245803

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Popular Name: 3-(pyrrolidin-1-ylmethyl)-5-(2-thienyl)isoxazole 3-(pyrrolidin-1-ylmethyl)-5-(2-t…

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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) 2.57 7.49 -37.32 1 3 1 30 235.332 3 ↓
Hi High (pH 8-9.5) 2.57 5.02 -6.7 0 3 0 29 234.324 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[[5-(2-thienyl)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) 2.16 8.48 -48.28 1 5 0 71 292.36 4 ↓
Hi High (pH 8-9.5) 2.16 6 -49.73 0 5 -1 69 291.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[[5-(2-thienyl)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) 2.16 8.47 -49.77 1 5 0 71 292.36 4 ↓
Hi High (pH 8-9.5) 2.16 5.92 -47.86 0 5 -1 69 291.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[[5-(2-thienyl)is…

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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) 2.49 9 -43.11 1 5 0 71 306.387 5 ↓
Hi High (pH 8-9.5) 2.49 6.54 -45.08 0 5 -1 69 305.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[[5-(2-thienyl)is…

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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) 2.49 8.95 -48.68 1 5 0 71 306.387 5 ↓
Hi High (pH 8-9.5) 2.49 6.39 -46.9 0 5 -1 69 305.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[[5-(2-thienyl)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) 1.66 5.75 -42.75 2 5 1 60 292.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[[5-(2-thienyl)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) 1.66 5.23 -36.41 2 5 1 60 292.384 4 ↓

Parameters Provided:

ring.id = 9428
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 = 9428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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