UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-methylthiadia…

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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) 0.42 3.77 -45.57 0 6 -1 86 254.291 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-methylthiadia…

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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) 0.42 3.92 -44.23 0 6 -1 86 254.291 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(thiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(thiadiazole-5-c…

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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) 0.20 3.18 -46.09 0 6 -1 86 240.264 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(thiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(thiadiazole-5-c…

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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) 0.20 3.34 -44.17 0 6 -1 86 240.264 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-methylthiadiaz…

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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) 0.76 4.4 -38.97 0 6 -1 86 268.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-methylthiadiaz…

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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) 0.76 4.41 -43.72 0 6 -1 86 268.318 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(thiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(thiadiazole-5-ca…

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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) 0.53 3.81 -39.05 0 6 -1 86 254.291 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(thiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(thiadiazole-5-ca…

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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) 0.53 3.82 -43.48 0 6 -1 86 254.291 3 ↓

Analogs

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Popular Name: (3S)-1-(4-methylthiadiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-methylthiadiazole-5-ca…

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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) 1.31 5.16 -39.11 0 6 -1 86 282.345 4 ↓

Analogs

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Popular Name: (3R)-1-(4-methylthiadiazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(4-methylthiadiazole-5-ca…

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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) 1.31 5.18 -43.9 0 6 -1 86 282.345 4 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(thiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(thiadiazole-5-c…

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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) 1.09 4.57 -39.25 0 6 -1 86 268.318 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(thiadiazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(thiadiazole-5-c…

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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) 1.09 4.59 -43.65 0 6 -1 86 268.318 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(4-methylthiadiazole-5…

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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) 0.34 4.08 -48.3 0 6 -1 86 254.291 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(4-methylthiadiazole-5…

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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) 0.34 4.15 -48.38 0 6 -1 86 254.291 3 ↓

Analogs

42433354
42433354

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) 0.19 1.79 -9.88 1 5 0 66 227.289 2 ↓

Analogs

42433353
42433353

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) 0.19 1.79 -9.87 1 5 0 66 227.289 2 ↓

Analogs

42434292
42434292

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) -0.04 1.29 -10.61 1 5 0 66 213.262 2 ↓

Analogs

42434291
42434291

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) -0.04 1.29 -10.59 1 5 0 66 213.262 2 ↓

Parameters Provided:

ring.id = 307153
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 = 307153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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