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Analogs

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Popular Name: 1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid 1-[(benzyloxy)carbonyl]-4-methox…

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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) -0.33 5.62 -59.31 0 6 -1 79 278.284 5 ↓

Analogs

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Popular Name: 1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid 1-[(benzyloxy)carbonyl]-4-methox…

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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) -0.33 5.7 -59.79 0 6 -1 79 278.284 5 ↓

Analogs

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Popular Name: 1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid 1-[(benzyloxy)carbonyl]-4-methox…

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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) -0.33 5.63 -58.29 0 6 -1 79 278.284 5 ↓

Analogs

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Popular Name: 1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid 1-[(benzyloxy)carbonyl]-4-methox…

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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) -0.33 5.63 -59.36 0 6 -1 79 278.284 5 ↓

Analogs

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Popular Name: (2R,4R)-1-benzyloxycarbonyl-4-methyl-pyrrolidine-2-carboxylic (2R,4R)-1-benzyloxycarbonyl-4-me…

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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) 1.34 8.19 -57.38 0 5 -1 70 262.285 4 ↓

Analogs

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Popular Name: O1-benzyl O1-benzyl

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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) 3.79 9.2 -12.42 0 5 0 56 291.347 6 ↓

Analogs

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Popular Name: O1-benzyl O1-benzyl

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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) 3.79 9.18 -12.48 0 5 0 56 291.347 6 ↓

Analogs

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Popular Name: benzyl benzyl

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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 8.91 -85.08 9 12 2 194 547.701 14 ↓
Hi High (pH 8-9.5) -3.37 6.34 -60.8 8 12 1 200 546.693 14 ↓
Mid Mid (pH 6-8) -3.56 8.58 -160.27 10 12 3 195 548.709 14 ↓

Analogs

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Popular Name: benzyl benzyl

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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 9.65 -89.14 9 12 2 194 547.701 14 ↓
Hi High (pH 8-9.5) -3.37 5.66 -49.37 8 12 1 200 546.693 14 ↓
Mid Mid (pH 6-8) -3.37 6.84 -96.04 9 12 2 202 547.701 14 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-2-amino-5-guanidino-pentanoyl]-1-benzyloxycarbonyl-pyrrolidin-1-ium-2-carboxylic (2R)-1-[(2R)-2-amino-5-guanidino…

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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) -4.43 8.22 -57.84 7 10 1 176 406.463 9 ↓
Lo Low (pH 4.5-6) -4.43 8.5 -109.04 8 10 2 177 407.471 9 ↓

Analogs

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Popular Name: (2S)-1-[(2R)-2-amino-5-guanidino-pentanoyl]-1-benzyloxycarbonyl-pyrrolidin-1-ium-2-carboxylic (2S)-1-[(2R)-2-amino-5-guanidino…

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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) -4.43 8.31 -72.9 7 10 1 176 406.463 9 ↓
Lo Low (pH 4.5-6) -4.43 8.59 -159.16 8 10 2 177 407.471 9 ↓

Analogs

12649290
12649290

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Popular Name: 1-[(BENZYLOXY)CARBONYL]-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID 1-[(BENZYLOXY)CARBONYL]-3-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) 1.78 7.62 -47.51 0 5 -1 70 262.285 4 ↓

Analogs

12649290
12649290

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Popular Name: 1-[(BENZYLOXY)CARBONYL]-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID 1-[(BENZYLOXY)CARBONYL]-3-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) 1.78 7.62 -45.47 0 5 -1 70 262.285 4 ↓

Analogs

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Popular Name: (3S)-1-benzyloxycarbonyl-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-benzyloxycarbonyl-3-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) 2.11 8.1 -46.76 0 5 -1 70 276.312 5 ↓

Analogs

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Popular Name: (3R)-1-benzyloxycarbonyl-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-benzyloxycarbonyl-3-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) 2.11 8.11 -46.7 0 5 -1 70 276.312 5 ↓

Analogs

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Popular Name: (3S)-1-benzyloxycarbonyl-3-propyl-pyrrolidine-3-carboxylic (3S)-1-benzyloxycarbonyl-3-propy…

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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 8.86 -47.1 0 5 -1 70 290.339 6 ↓

Analogs

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Popular Name: (3R)-1-benzyloxycarbonyl-3-propyl-pyrrolidine-3-carboxylic (3R)-1-benzyloxycarbonyl-3-propy…

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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 8.88 -47.07 0 5 -1 70 290.339 6 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 1.05 2.73 -14.39 1 7 0 85 342.417 8 ↓

Analogs

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Popular Name: benzyl benzyl

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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 4.47 -13.18 0 6 0 67 312.391 5 ↓

Analogs

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Popular Name: 3-BOC-AMINO-1-CBZ-4-HYDROXYMETHYL-PYRROLIDINE 3-BOC-AMINO-1-CBZ-4-HYDROXYMETHY…

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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) 3.99 3.72 -11.03 2 7 0 88 350.415 7 ↓

Analogs

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Popular Name: 3-BOC-AMINO-1-CBZ-4-HYDROXYMETHYL-PYRROLIDINE 3-BOC-AMINO-1-CBZ-4-HYDROXYMETHY…

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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) 3.99 3.68 -11.29 2 7 0 88 350.415 7 ↓

Analogs

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Popular Name: (3R,4R)-3-(Boc-amino)-1-cbz-4-(hydroxymethyl)pyrrolidine (3R,4R)-3-(Boc-amino)-1-cbz-4-(h…

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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) 3.99 4.07 -11.18 2 7 0 88 350.415 7 ↓

Analogs

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Popular Name: O1-benzyl O1-benzyl

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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) 1.12 5.38 -52.11 3 6 1 83 293.343 6 ↓
Mid Mid (pH 6-8) 1.12 5.11 -8.15 2 6 0 82 292.335 6 ↓

Analogs

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Popular Name: (3S,4R)-1-Benzyl 3-ethyl 4-(tert-butoxycarbonylamino)pyrrolidine-1,3-dicarboxylate (3S,4R)-1-Benzyl 3-ethyl 4-(tert…

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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) 4.86 8 -12.93 1 8 0 94 392.452 9 ↓

Analogs

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Popular Name: Benzyl (3R)-3-[(tert-butoxycarbonyl)(methyl)amino]pyrrolidine-1-carboxylate Benzyl (3R)-3-[(tert-butoxycarbo…

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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) 2.97 8.58 -10.74 0 6 0 59 334.416 6 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 2.97 8.59 -9.93 0 6 0 59 334.416 6 ↓

Analogs

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Popular Name: 3-Methylamino-pyrrolidine-1-carboxylic acid benzyl ester 3-Methylamino-pyrrolidine-1-carb…

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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) 1.69 5.66 -46.93 2 4 1 46 235.307 4 ↓
Hi High (pH 8-9.5) 1.69 4.42 -8 1 4 0 42 234.299 4 ↓

Parameters Provided:

ring.id = 48686
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 48686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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