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

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1S,2R,4R)-2,4-dimethylcyclohexyl]isoquinoline-5,8-diamine N5-[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 4.11 7.35 -30.24 4 3 1 52 270.4 2 ↓
Hi High (pH 8-9.5) 4.11 6.88 -4.81 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1S,2R,4S)-2,4-dimethylcyclohexyl]isoquinoline-5,8-diamine N5-[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 4.11 6.71 -30.48 4 3 1 52 270.4 2 ↓
Hi High (pH 8-9.5) 4.11 6.25 -4.94 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1R,2R,4R)-2,4-dimethylcyclohexyl]isoquinoline-5,8-diamine N5-[(1R,2R,4R)-2,4-dimethylcyclo…

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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) 4.11 7.05 -30.39 4 3 1 52 270.4 2 ↓
Hi High (pH 8-9.5) 4.11 6.58 -4.9 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1R,2R,4S)-2,4-dimethylcyclohexyl]isoquinoline-5,8-diamine N5-[(1R,2R,4S)-2,4-dimethylcyclo…

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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) 4.11 6.81 -30.43 4 3 1 52 270.4 2 ↓
Hi High (pH 8-9.5) 4.11 6.34 -4.88 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-methyl-N5-(4-methylcyclohexyl)isoquinoline-5,8-diamine N5-methyl-N5-(4-methylcyclohexyl…

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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) 3.22 7.51 -30.67 3 3 1 43 270.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methoxycyclohexyl]isoquinolin-5-amine N-[(1S,2R)-2-methoxycyclohexyl]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) 3.90 6.62 -5.73 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.90 7.09 -30.77 2 3 1 35 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methoxycyclohexyl]isoquinolin-5-amine N-[(1S,2S)-2-methoxycyclohexyl]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) 3.90 6.32 -5.7 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.90 6.79 -31.89 2 3 1 35 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methoxycyclohexyl]isoquinolin-5-amine N-[(1R,2R)-2-methoxycyclohexyl]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) 3.90 6.31 -5.71 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.90 6.78 -31.88 2 3 1 35 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methoxycyclohexyl]isoquinolin-5-amine N-[(1R,2S)-2-methoxycyclohexyl]i…

Find On: PubMed — Wikipedia — Google

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) 3.90 6.62 -5.71 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.90 7.08 -30.78 2 3 1 35 257.357 3 ↓

Parameters Provided:

ring.id = 524141
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 = 524141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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