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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-1-cyclopentyl-3-methyl-1,4-diazepane (3R)-1-cyclopentyl-3-methyl-1,4-…

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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) 1.99 4.28 -32.55 2 2 1 20 183.319 1 ↓
Hi High (pH 8-9.5) 1.99 2.88 -1.33 1 2 0 15 182.311 1 ↓
Mid Mid (pH 6-8) 1.99 4.78 -27.06 2 2 1 16 183.319 1 ↓

Analogs

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Popular Name: (3S)-1-cyclopentyl-3-methyl-1,4-diazepane (3S)-1-cyclopentyl-3-methyl-1,4-…

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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) 1.99 3.93 -34.48 2 2 1 20 183.319 1 ↓
Hi High (pH 8-9.5) 1.99 2.61 -0.84 1 2 0 15 182.311 1 ↓
Mid Mid (pH 6-8) 1.99 4.64 -29.86 2 2 1 16 183.319 1 ↓

Analogs

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Popular Name: 1-cyclopentyl-3,3-dimethyl-1,4-diazepane 1-cyclopentyl-3,3-dimethyl-1,4-d…

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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) 2.47 5.63 -29.53 2 2 1 16 197.346 1 ↓
Lo Low (pH 4.5-6) 2.47 6.74 -101.87 3 2 2 21 198.354 1 ↓

Analogs

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Popular Name: [(2R)-4-cyclopentyl-1,4-diazepan-2-yl]methanol [(2R)-4-cyclopentyl-1,4-diazepan…

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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) 1.01 1.05 -31.13 3 3 1 40 199.318 2 ↓
Hi High (pH 8-9.5) 1.01 -0.37 -2.9 2 3 0 35 198.31 2 ↓
Mid Mid (pH 6-8) 1.01 1.55 -29.82 3 3 1 37 199.318 2 ↓

Analogs

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Popular Name: (3R)-1-cyclopentyl-3-isopropyl-1,4-diazepane (3R)-1-cyclopentyl-3-isopropyl-1…

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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) 2.77 6.39 -27.58 2 2 1 16 211.373 2 ↓
Lo Low (pH 4.5-6) 2.77 7.35 -107.32 3 2 2 21 212.381 2 ↓

Analogs

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Popular Name: (3S)-1-cyclopentyl-3-isopropyl-1,4-diazepane (3S)-1-cyclopentyl-3-isopropyl-1…

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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) 2.77 6.27 -30.47 2 2 1 16 211.373 2 ↓
Lo Low (pH 4.5-6) 2.77 7.46 -104.99 3 2 2 21 212.381 2 ↓

Analogs

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Popular Name: (3R)-1-cyclopentyl-3-isobutyl-1,4-diazepane (3R)-1-cyclopentyl-3-isobutyl-1,…

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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) 3.30 6.87 -28.08 2 2 1 16 225.4 3 ↓
Lo Low (pH 4.5-6) 3.30 8.22 -110.1 3 2 2 21 226.408 3 ↓

Analogs

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Popular Name: (3S)-1-cyclopentyl-3-isobutyl-1,4-diazepane (3S)-1-cyclopentyl-3-isobutyl-1,…

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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) 3.30 6.92 -30.81 2 2 1 16 225.4 3 ↓
Lo Low (pH 4.5-6) 3.30 8.09 -109.05 3 2 2 21 226.408 3 ↓

Parameters Provided:

ring.id = 136598
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 = 136598 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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