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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: N'-cycloheptyl-N-cyclopropyl-N-methyl-ethane-1,2-diamine N'-cycloheptyl-N-cyclopropyl-N-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) 2.90 7.77 -110.14 3 2 2 21 212.381 5 ↓
Hi High (pH 8-9.5) 2.90 6.62 -30.65 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.90 5.46 -36.59 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N'-cycloheptyl-N-cyclopropyl-N-ethyl-ethane-1,2-diamine N'-cycloheptyl-N-cyclopropyl-N-e…

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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) 3.28 8.42 -108.27 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 3.28 7.28 -29.49 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 3.28 6.11 -37.52 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N'-cycloheptyl-N-cyclopropyl-N-propyl-ethane-1,2-diamine N'-cycloheptyl-N-cyclopropyl-N-p…

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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) 3.78 9.16 -110.46 3 2 2 21 240.435 7 ↓
Hi High (pH 8-9.5) 3.78 8.02 -29.99 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 3.78 7.09 -36.22 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: N-cycloheptyl-N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N-cycloheptyl-N'-cyclopropyl-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) 3.83 6.78 -38.69 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.83 5.62 -2.36 1 2 0 15 278.362 7 ↓

Analogs

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Popular Name: N-butyl-N'-cycloheptyl-N-cyclopropyl-ethane-1,2-diamine N-butyl-N'-cycloheptyl-N-cyclopr…

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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) 4.34 9.94 -111.71 3 2 2 21 254.462 8 ↓
Hi High (pH 8-9.5) 4.34 8.79 -30.63 2 2 1 16 253.454 8 ↓
Mid Mid (pH 6-8) 4.34 7.87 -36.4 2 2 1 20 253.454 8 ↓

Analogs

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Popular Name: N'-cycloheptyl-N-cyclopropyl-N-isobutyl-ethane-1,2-diamine N'-cycloheptyl-N-cyclopropyl-N-i…

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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) 4.03 9.48 -112.37 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 4.03 8.69 -29.59 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 4.03 7.83 -37.7 2 2 1 20 253.454 7 ↓

Analogs

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Popular Name: N'-cycloheptyl-N-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine N'-cycloheptyl-N-cyclopropyl-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) 2.89 5.42 -37.97 2 3 1 29 255.426 8 ↓
Hi High (pH 8-9.5) 2.89 4.27 -1.95 1 3 0 24 254.418 8 ↓
Mid Mid (pH 6-8) 2.89 7.56 -109.3 3 3 2 30 256.434 8 ↓

Analogs

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Popular Name: (2S)-N2-cycloheptyl-N1-cyclopropyl-N2,3-dimethyl-butane-1,2-diamine (2S)-N2-cycloheptyl-N1-cycloprop…

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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) 4.01 8.84 -110.74 3 2 2 21 254.462 6 ↓

Analogs

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Popular Name: (2R)-N2-cycloheptyl-N1-cyclopropyl-N2,3-dimethyl-butane-1,2-diamine (2R)-N2-cycloheptyl-N1-cycloprop…

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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) 4.01 9.79 -108.18 3 2 2 21 254.462 6 ↓

Analogs

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Popular Name: (2S)-N2-cycloheptyl-N1-cyclopropyl-N2-methyl-propane-1,2-diamine (2S)-N2-cycloheptyl-N1-cycloprop…

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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) 3.23 8.49 -103.82 3 2 2 21 226.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-cycloheptyl-N1-cyclopropyl-N2-methyl-propane-1,2-diamine (2R)-N2-cycloheptyl-N1-cycloprop…

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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) 3.23 8.29 -111.13 3 2 2 21 226.408 5 ↓

Parameters Provided:

ring.id = 46607
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 = 46607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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