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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-[2-(benzotriazol-1-yl)ethyl]-4-methyl-cyclohexanamine N-[2-(benzotriazol-1-yl)ethyl]-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) 2.82 6.93 -50.48 2 4 1 47 259.377 4 ↓

Analogs

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Popular Name: (1S,2R)-N-[2-(benzotriazol-1-yl)ethyl]-2-methyl-cyclohexanamine (1S,2R)-N-[2-(benzotriazol-1-yl)…

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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) 3.29 6.8 -48.9 2 4 1 47 259.377 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[2-(benzotriazol-1-yl)ethyl]-2-methyl-cyclohexanamine (1S,2S)-N-[2-(benzotriazol-1-yl)…

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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) 3.29 6.99 -48.57 2 4 1 47 259.377 4 ↓

Analogs

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Popular Name: (1R,2R)-N-[2-(benzotriazol-1-yl)ethyl]-2-methyl-cyclohexanamine (1R,2R)-N-[2-(benzotriazol-1-yl)…

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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) 3.29 6.99 -48.58 2 4 1 47 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[2-(benzotriazol-1-yl)ethyl]-2-methyl-cyclohexanamine (1R,2S)-N-[2-(benzotriazol-1-yl)…

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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) 3.29 6.8 -49.46 2 4 1 47 259.377 4 ↓

Analogs

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Popular Name: (1S,3R)-N-[2-(benzotriazol-1-yl)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-(benzotriazol-1-yl)…

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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) 3.05 6.93 -50.15 2 4 1 47 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[2-(benzotriazol-1-yl)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[2-(benzotriazol-1-yl)…

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Activity (Go SEA)

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) 3.05 6.69 -50.02 2 4 1 47 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[2-(benzotriazol-1-yl)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[2-(benzotriazol-1-yl)…

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Activity (Go SEA)

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) 3.05 6.69 -50.24 2 4 1 47 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[2-(benzotriazol-1-yl)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[2-(benzotriazol-1-yl)…

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Activity (Go SEA)

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) 3.05 6.92 -50.44 2 4 1 47 259.377 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(benzotriazol-1-yl)propyl]cyclohexanamine N-[(2S)-2-(benzotriazol-1-yl)pro…

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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) 3.41 7.03 -47.92 2 4 1 47 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(benzotriazol-1-yl)propyl]cyclohexanamine N-[(2R)-2-(benzotriazol-1-yl)pro…

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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) 3.41 7.02 -47.75 2 4 1 47 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(benzotriazol-1-yl)ethyl]cyclohexanamine N-[2-(benzotriazol-1-yl)ethyl]cy…

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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) 3.05 6.32 -49.85 2 4 1 47 245.35 4 ↓

Parameters Provided:

ring.id = 73546
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 = 73546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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