UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-1-(3-cyclohexylpropanoyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3-cyclohexylpropanoyl)-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) 2.67 8.59 -51.52 0 4 -1 60 266.361 4 ↓

Analogs

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Popular Name: (3R)-1-(3-cyclohexylpropanoyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3-cyclohexylpropanoyl)-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) 2.67 8.67 -54.65 0 4 -1 60 266.361 4 ↓

Analogs

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Popular Name: (3S)-1-(3-cyclohexylpropanoyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(3-cyclohexylpropanoyl)-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) 3.00 9.25 -46.45 0 4 -1 60 280.388 5 ↓

Analogs

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Popular Name: (3R)-1-(3-cyclohexylpropanoyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(3-cyclohexylpropanoyl)-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) 3.00 9.16 -53.85 0 4 -1 60 280.388 5 ↓

Analogs

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Popular Name: (3S)-1-(3-cyclohexylpropanoyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3-cyclohexylpropanoyl)-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) 3.56 10.02 -46.74 0 4 -1 60 294.415 6 ↓

Analogs

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Popular Name: (3R)-1-(3-cyclohexylpropanoyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3-cyclohexylpropanoyl)-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) 3.56 9.91 -54.26 0 4 -1 60 294.415 6 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 0.71 6.02 -91.58 4 4 2 52 269.433 4 ↓
Hi High (pH 8-9.5) 0.71 3.61 -50.06 3 4 1 51 268.425 4 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 0.71 6.02 -91.58 4 4 2 52 269.433 4 ↓
Hi High (pH 8-9.5) 0.71 3.61 -50.05 3 4 1 51 268.425 4 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 1.47 7.08 -89.73 4 4 2 52 297.487 6 ↓
Hi High (pH 8-9.5) 1.47 5.05 -49.68 3 4 1 51 296.479 6 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 1.47 6.81 -88.06 4 4 2 52 297.487 6 ↓
Hi High (pH 8-9.5) 1.47 4.66 -45.1 3 4 1 51 296.479 6 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 1.83 6.06 -44.5 3 3 1 48 253.41 4 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(2S)-2-ethylpyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 1.83 6.3 -49.51 3 3 1 48 253.41 4 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 1.30 5.61 -49.41 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one 3-(4-aminocyclohexyl)-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) 1.30 5.6 -49.34 3 3 1 48 239.383 3 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1-pyrrolidin-1-yl-propan-1-one 3-(4-aminocyclohexyl)-1-pyrrolid…

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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 4.92 -49.48 3 3 1 48 225.356 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(3-cyclohexylpropanoyl…

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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) 2.58 8.96 -54.45 0 4 -1 60 266.361 5 ↓

Analogs

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Popular Name: 2-[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(3-cyclohexylpropanoyl…

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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) 2.58 8.93 -54.27 0 4 -1 60 266.361 5 ↓

Analogs

42433606
42433606

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

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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) 2.43 5.18 -7.62 1 3 0 41 239.359 4 ↓

Analogs

42433605
42433605

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

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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) 2.43 5.17 -7.62 1 3 0 41 239.359 4 ↓

Parameters Provided:

ring.id = 307047
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 = 307047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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