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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: (1S)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]indan-1-amine (1S)-4-[(4,5-dimethyl-1,2,4-tria…

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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) -0.99 5.87 -53.85 3 5 1 68 259.333 3 ↓
Hi High (pH 8-9.5) -0.99 5.56 -13.11 2 5 0 66 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]indan-1-amine (1R)-4-[(4,5-dimethyl-1,2,4-tria…

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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) -0.99 5.86 -57.18 3 5 1 68 259.333 3 ↓
Hi High (pH 8-9.5) -0.99 5.56 -13.88 2 5 0 66 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-methyl-indan-1-amine (1S)-4-[(4,5-dimethyl-1,2,4-tria…

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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) 1.26 7.53 -48.71 2 5 1 57 273.36 4 ↓
Hi High (pH 8-9.5) 1.26 6.27 -12.86 1 5 0 52 272.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-methyl-indan-1-amine (1R)-4-[(4,5-dimethyl-1,2,4-tria…

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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) 1.26 7.67 -51.22 2 5 1 57 273.36 4 ↓
Hi High (pH 8-9.5) 1.26 6.18 -13.55 1 5 0 52 272.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-ethyl-indan-1-amine (1R)-4-[(4,5-dimethyl-1,2,4-tria…

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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) 1.64 8.35 -47.38 2 5 1 57 287.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-ethyl-indan-1-amine (1S)-4-[(4,5-dimethyl-1,2,4-tria…

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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) 1.64 8.53 -49.73 2 5 1 57 287.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]indan-1-ol (1S)-4-[(4,5-dimethyl-1,2,4-tria…

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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) 0.71 5.25 -15.67 1 5 0 60 259.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]indan-1-ol (1R)-4-[(4,5-dimethyl-1,2,4-tria…

Find On: PubMed — Wikipedia — Google

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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) 0.71 5.25 -14.89 1 5 0 60 259.309 3 ↓

Parameters Provided:

ring.id = 273403
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 = 273403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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