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

Analogs

37810823
37810823
37810824
37810824
37813914
37813914

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Popular Name: (2S)-1-(indoline-5-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(indoline-5-carbonyl)-N,N…

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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) 0.03 4.84 -19.8 1 5 0 53 287.363 2 ↓

Analogs

37810823
37810823
37810824
37810824
37813914
37813914

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(indoline-5-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(indoline-5-carbonyl)-N,N…

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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) 0.03 5.99 -21.84 1 5 0 53 287.363 2 ↓

Analogs

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Popular Name: (2S)-1-(1-methylsulfonylindoline-5-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(1-methylsulfonylindoline…

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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) -1.47 4.82 -69.73 0 7 -1 98 337.377 3 ↓

Analogs

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Popular Name: (2S)-1-[(2R)-2-methyl-1-methylsulfonyl-indoline-5-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(2R)-2-methyl-1-methylsu…

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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) -1.14 4.6 -60.46 0 7 -1 98 351.404 3 ↓

Analogs

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Popular Name: (2S)-1-[(2S)-2-methyl-1-methylsulfonyl-indoline-5-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(2S)-2-methyl-1-methylsu…

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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) -1.14 4.49 -56.04 0 7 -1 98 351.404 3 ↓

Analogs

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Popular Name: (2S)-1-(1-acetylindoline-5-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(1-acetylindoline-5-carbo…

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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) -1.48 6.8 -71.13 0 6 -1 81 301.322 2 ↓

Analogs

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Popular Name: (3S)-1-(indoline-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(indoline-5-carbonyl)-3-m…

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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) 0.72 5.71 -54.41 1 5 -1 72 273.312 2 ↓

Analogs

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Popular Name: (3R)-1-(indoline-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(indoline-5-carbonyl)-3-m…

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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) 0.72 5.8 -51.28 1 5 -1 72 273.312 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(indoline-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(indoline-5-carbo…

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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) 1.06 6.24 -45.32 1 5 -1 72 287.339 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(indoline-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(indoline-5-carbo…

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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) 1.06 6.29 -50.82 1 5 -1 72 287.339 3 ↓

Analogs

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Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-indolin-5-yl-methanone [(3R)-3-(dimethylamino)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) 0.88 5.8 -45.61 2 4 1 37 260.361 2 ↓
Hi High (pH 8-9.5) 0.88 3.39 -10.99 1 4 0 36 259.353 2 ↓

Analogs

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Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-indolin-5-yl-methanone [(3S)-3-(dimethylamino)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) 0.88 5.8 -45.56 2 4 1 37 260.361 2 ↓
Hi High (pH 8-9.5) 0.88 3.37 -10.75 1 4 0 36 259.353 2 ↓

Analogs

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Popular Name: [(3R)-3-(diethylamino)pyrrolidin-1-yl]-indolin-5-yl-methanone [(3R)-3-(diethylamino)pyrrolidin…

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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) 1.63 6.82 -43.4 2 4 1 37 288.415 4 ↓
Hi High (pH 8-9.5) 1.63 4.69 -10.81 1 4 0 36 287.407 4 ↓

Analogs

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Popular Name: [(3S)-3-(diethylamino)pyrrolidin-1-yl]-indolin-5-yl-methanone [(3S)-3-(diethylamino)pyrrolidin…

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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) 1.63 6.81 -43.44 2 4 1 37 288.415 4 ↓
Hi High (pH 8-9.5) 1.63 4.81 -10.68 1 4 0 36 287.407 4 ↓

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) 0.93 5.98 -21.9 0 7 0 84 366.439 4 ↓

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) 0.93 6.24 -21.93 0 7 0 84 366.439 4 ↓

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) 0.59 7.62 -18.55 0 6 0 67 316.357 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) 0.59 8 -19.9 0 6 0 67 316.357 3 ↓

Analogs

37810823
37810823
37810824
37810824
37813914
37813914

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(indoline-5-carbonyl)pyrrolidine-2-carboxamide (2R)-1-(indoline-5-carbonyl)pyrr…

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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 2.07 -18.96 3 5 0 75 259.309 2 ↓

Analogs

37810823
37810823
37810824
37810824
37813914
37813914

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(indoline-5-carbonyl)pyrrolidine-2-carboxamide (2S)-1-(indoline-5-carbonyl)pyrr…

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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 2.86 -20.38 3 5 0 75 259.309 2 ↓

Parameters Provided:

ring.id = 65721
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 = 65721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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