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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-N-(pyrazin-2-ylmethyl)indan-1-amine (1S)-N-(pyrazin-2-ylmethyl)indan…

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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) 1.87 5.45 -42.31 2 3 1 42 226.303 3 ↓
Mid Mid (pH 6-8) 1.87 4.28 -5.58 1 3 0 38 225.295 3 ↓

Analogs

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Popular Name: (1R)-N-(pyrazin-2-ylmethyl)indan-1-amine (1R)-N-(pyrazin-2-ylmethyl)indan…

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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) 1.87 5.62 -42.81 2 3 1 42 226.303 3 ↓
Mid Mid (pH 6-8) 1.87 4.21 -5.91 1 3 0 38 225.295 3 ↓

Analogs

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Popular Name: (1R)-N-[(5-methylpyrazin-2-yl)methyl]indan-1-amine (1R)-N-[(5-methylpyrazin-2-yl)me…

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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) 2.10 6.08 -39.37 2 3 1 42 240.33 3 ↓
Mid Mid (pH 6-8) 2.10 4.93 -5.57 1 3 0 38 239.322 3 ↓

Analogs

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Popular Name: (1S)-N-[(5-methylpyrazin-2-yl)methyl]indan-1-amine (1S)-N-[(5-methylpyrazin-2-yl)me…

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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) 2.10 6.24 -42.33 2 3 1 42 240.33 3 ↓
Mid Mid (pH 6-8) 2.10 4.84 -7.22 1 3 0 38 239.322 3 ↓

Analogs

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Popular Name: (1R,3S)-1,7-dimethyl-3-[(5-methylpyrazin-2-yl)methylamino]indan-4-ol (1R,3S)-1,7-dimethyl-3-[(5-methy…

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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) 2.76 4.59 -40.77 3 4 1 63 284.383 3 ↓
Hi High (pH 8-9.5) 2.76 3.6 -6.93 2 4 0 58 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1,7-dimethyl-3-[(5-methylpyrazin-2-yl)methylamino]indan-4-ol (1S,3S)-1,7-dimethyl-3-[(5-methy…

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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) 2.76 4.29 -43.21 3 4 1 63 284.383 3 ↓
Hi High (pH 8-9.5) 2.76 3.16 -7.16 2 4 0 58 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1,7-dimethyl-3-[(5-methylpyrazin-2-yl)methylamino]indan-4-ol (1R,3R)-1,7-dimethyl-3-[(5-methy…

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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) 2.76 4.83 -40.12 3 4 1 63 284.383 3 ↓
Hi High (pH 8-9.5) 2.76 3.55 -7.64 2 4 0 58 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1,7-dimethyl-3-[(5-methylpyrazin-2-yl)methylamino]indan-4-ol (1S,3R)-1,7-dimethyl-3-[(5-methy…

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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) 2.76 4.68 -41.02 3 4 1 63 284.383 3 ↓
Hi High (pH 8-9.5) 2.76 3.36 -7.63 2 4 0 58 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(5-methylpyrazin-2-yl)methylamino]indan-4-ol (1R)-1-[(5-methylpyrazin-2-yl)me…

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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) 2.04 3.22 -42.43 3 4 1 63 256.329 3 ↓
Mid Mid (pH 6-8) 2.04 2.07 -7.55 2 4 0 58 255.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(5-methylpyrazin-2-yl)methylamino]indan-4-ol (1S)-1-[(5-methylpyrazin-2-yl)me…

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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) 2.04 3.37 -45.99 3 4 1 63 256.329 3 ↓
Mid Mid (pH 6-8) 2.04 1.98 -8.42 2 4 0 58 255.321 3 ↓

Analogs

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Popular Name: (1R)-5-bromo-N-[(5-methylpyrazin-2-yl)methyl]indan-1-amine (1R)-5-bromo-N-[(5-methylpyrazin…

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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) 2.88 6.69 -44.03 2 3 1 42 319.226 3 ↓
Mid Mid (pH 6-8) 2.88 5.54 -5.68 1 3 0 38 318.218 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-5-bromo-N-[(5-methylpyrazin-2-yl)methyl]indan-1-amine (1S)-5-bromo-N-[(5-methylpyrazin…

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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) 2.88 6.85 -46.78 2 3 1 42 319.226 3 ↓
Mid Mid (pH 6-8) 2.88 5.46 -7.08 1 3 0 38 318.218 3 ↓

Parameters Provided:

ring.id = 152927
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 = 152927 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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