UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-1-[3-(cyclopropylamino)propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[3-(cyclopropylamino)prop…

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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) 0.08 5.43 -76.49 2 5 0 77 240.303 5 ↓

Analogs

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Popular Name: (3R)-1-[3-(cyclopropylamino)propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[3-(cyclopropylamino)prop…

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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) 0.08 5.49 -76.16 2 5 0 77 240.303 5 ↓

Analogs

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Popular Name: (3S)-1-[3-(cyclopropylamino)propanoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[3-(cyclopropylamino)prop…

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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) 0.41 6.07 -70.81 2 5 0 77 254.33 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(cyclopropylamino)propanoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[3-(cyclopropylamino)prop…

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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) 0.41 5.99 -75.09 2 5 0 77 254.33 6 ↓

Analogs

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Popular Name: (3S)-1-[3-(cyclopropylamino)propanoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[3-(cyclopropylamino)prop…

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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) 0.97 6.84 -71.01 2 5 0 77 268.357 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-(cyclopropylamino)propanoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[3-(cyclopropylamino)prop…

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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) 0.97 6.74 -75.32 2 5 0 77 268.357 7 ↓

Analogs

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Popular Name: 3-(cyclopropylamino)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[(3R)-3-(…

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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) 0.23 5.6 -88.96 3 4 2 41 227.352 5 ↓
Hi High (pH 8-9.5) 0.23 3.19 -42.55 2 4 1 40 226.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[(3S)-3-(…

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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) 0.23 5.6 -88.96 3 4 2 41 227.352 5 ↓
Hi High (pH 8-9.5) 0.23 3.19 -42.53 2 4 1 40 226.344 5 ↓

Analogs

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Popular Name: 3-(cyclopropylamino)-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[(3R)-3-(…

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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) 0.99 6.62 -87.82 3 4 2 41 255.406 7 ↓
Hi High (pH 8-9.5) 0.99 4.63 -42.23 2 4 1 40 254.398 7 ↓

Analogs

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Popular Name: 3-(cyclopropylamino)-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[(3S)-3-(…

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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) 0.99 6.6 -87.75 3 4 2 41 255.406 7 ↓
Hi High (pH 8-9.5) 0.99 4.48 -42.18 2 4 1 40 254.398 7 ↓

Analogs

43605006
43605006
43605007
43605007
44889279
44889279
44889281
44889281
36136287
36136287

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Popular Name: (2S)-1-[3-(cyclopropylamino)propanoyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[3-(cyclopropylamino)prop…

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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 3.67 -46.34 3 5 1 66 240.327 5 ↓

Analogs

43605006
43605006
43605007
43605007
44889279
44889279
44889281
44889281
36136287
36136287

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-(cyclopropylamino)propanoyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[3-(cyclopropylamino)prop…

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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 3.95 -46.33 3 5 1 66 240.327 5 ↓

Analogs

42434885
42434885
42434950
42434950
42434951
42434951
42434846
42434846
42434847
42434847

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[(2R)-2-(…

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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) -0.16 2 -41.07 3 4 1 57 213.301 5 ↓

Analogs

42434950
42434950
42434951
42434951
42434846
42434846
42434847
42434847
42434884
42434884

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[(2S)-2-(…

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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) -0.16 2 -41.1 3 4 1 57 213.301 5 ↓

Parameters Provided:

ring.id = 308043
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 = 308043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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