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Popular Name: (2S)-1-[1-(cyclopentylmethyl)imidazol-2-yl]propan-2-amine (2S)-1-[1-(cyclopentylmethyl)imi…

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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) 1.27 5.8 -36.93 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 1.27 5.34 -6.39 2 3 0 44 207.321 4 ↓
Mid Mid (pH 6-8) 1.27 6.32 -104.34 4 3 2 47 209.337 4 ↓

Analogs

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Popular Name: (2R)-1-[1-(cyclopentylmethyl)imidazol-2-yl]propan-2-amine (2R)-1-[1-(cyclopentylmethyl)imi…

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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) 1.27 5.31 -45.29 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 1.27 5.01 -4.51 2 3 0 44 207.321 4 ↓
Mid Mid (pH 6-8) 1.27 6.38 -104.29 4 3 2 47 209.337 4 ↓

Analogs

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Popular Name: (2S)-1-[1-(cyclopentylmethyl)imidazol-2-yl]butan-2-amine (2S)-1-[1-(cyclopentylmethyl)imi…

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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) 1.80 6.61 -36.5 3 3 1 45 222.356 5 ↓
Mid Mid (pH 6-8) 1.80 7.13 -105.58 4 3 2 47 223.364 5 ↓

Analogs

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Popular Name: (2R)-1-[1-(cyclopentylmethyl)imidazol-2-yl]butan-2-amine (2R)-1-[1-(cyclopentylmethyl)imi…

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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) 1.80 6.12 -45.09 3 3 1 45 222.356 5 ↓
Mid Mid (pH 6-8) 1.80 7.18 -105.59 4 3 2 47 223.364 5 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-2-isopropyl-imidazole 1-(cyclopentylmethyl)-2-isopropy…

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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) 2.92 8.84 -26.08 1 2 1 19 193.314 3 ↓
Mid Mid (pH 6-8) 2.92 8.27 -5.78 0 2 0 18 192.306 3 ↓

Analogs

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Popular Name: 2-[1-[(1S)-1-cyclopentylethyl]imidazol-2-yl]sulfanylacetic 2-[1-[(1S)-1-cyclopentylethyl]im…

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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) 2.30 8.93 -47.18 0 4 -1 58 253.347 5 ↓
Mid Mid (pH 6-8) 2.30 9.42 -42.22 1 4 0 59 254.355 5 ↓

Analogs

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Popular Name: 2-[1-[(1R)-1-cyclopentylethyl]imidazol-2-yl]sulfanylacetic 2-[1-[(1R)-1-cyclopentylethyl]im…

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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) 2.30 8.92 -47.35 0 4 -1 58 253.347 5 ↓
Mid Mid (pH 6-8) 2.30 9.41 -42.31 1 4 0 59 254.355 5 ↓

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Popular Name: ethyl 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) 2.28 8.16 -10.51 2 5 0 70 265.357 5 ↓

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Popular Name: ethyl 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) 2.28 8.13 -10.46 2 5 0 70 265.357 5 ↓

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Popular Name: ethyl 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) 2.19 8.14 -9.85 2 5 0 70 251.33 5 ↓

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Popular Name: ethyl 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) 2.19 8.12 -9.79 2 5 0 70 251.33 5 ↓

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Popular Name: ethyl 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) 2.85 8.69 -10.26 2 5 0 70 279.384 6 ↓

Analogs

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Popular Name: ethyl 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) 2.85 8.71 -10.14 2 5 0 70 279.384 6 ↓

Parameters Provided:

ring.id = 274896
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 = 274896 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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