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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)-N-(4H-1,2,4-triazol-3-ylmethyl)indan-1-amine (1S)-N-(4H-1,2,4-triazol-3-ylmet…

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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) 0.90 6.22 -38.16 3 4 1 58 215.28 3 ↓
Hi High (pH 8-9.5) 0.90 6.05 -33 2 4 0 56 214.272 3 ↓
Hi High (pH 8-9.5) 0.90 5.06 -8.14 2 4 0 54 214.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(4H-1,2,4-triazol-3-ylmethyl)indan-1-amine (1R)-N-(4H-1,2,4-triazol-3-ylmet…

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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) 0.90 6.39 -38.92 3 4 1 58 215.28 3 ↓
Hi High (pH 8-9.5) 0.90 6.21 -32.18 2 4 0 56 214.272 3 ↓
Hi High (pH 8-9.5) 0.90 4.98 -8.93 2 4 0 54 214.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-1,7-dimethyl-3-(4H-1,2,4-triazol-3-ylmethylamino)indan-4-ol (1R,3S)-1,7-dimethyl-3-(4H-1,2,4…

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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) 1.57 4.74 -37.13 4 5 1 78 259.333 3 ↓
Hi High (pH 8-9.5) 1.57 4.56 -30.44 3 5 0 77 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1,7-dimethyl-3-(4H-1,2,4-triazol-3-ylmethylamino)indan-4-ol (1S,3S)-1,7-dimethyl-3-(4H-1,2,4…

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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) 1.57 4.46 -39.22 4 5 1 78 259.333 3 ↓
Hi High (pH 8-9.5) 1.57 4.28 -31.77 3 5 0 77 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1,7-dimethyl-3-(4H-1,2,4-triazol-3-ylmethylamino)indan-4-ol (1R,3R)-1,7-dimethyl-3-(4H-1,2,4…

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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) 1.57 4.99 -36.76 4 5 1 78 259.333 3 ↓
Hi High (pH 8-9.5) 1.57 4.81 -31.63 3 5 0 77 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1,7-dimethyl-3-(4H-1,2,4-triazol-3-ylmethylamino)indan-4-ol (1S,3R)-1,7-dimethyl-3-(4H-1,2,4…

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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) 1.57 4.84 -37.52 4 5 1 78 259.333 3 ↓
Hi High (pH 8-9.5) 1.57 4.67 -32.33 3 5 0 77 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4H-1,2,4-triazol-3-ylmethylamino)indan-4-ol (1S)-1-(4H-1,2,4-triazol-3-ylmet…

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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) 0.84 3.37 -41.78 4 5 1 78 231.279 3 ↓
Hi High (pH 8-9.5) 0.84 3.19 -35.19 3 5 0 77 230.271 3 ↓
Hi High (pH 8-9.5) 0.84 2.21 -9.66 3 5 0 74 230.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4H-1,2,4-triazol-3-ylmethylamino)indan-4-ol (1R)-1-(4H-1,2,4-triazol-3-ylmet…

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) 0.84 3.53 -42.34 4 5 1 78 231.279 3 ↓
Hi High (pH 8-9.5) 0.84 3.36 -34.91 3 5 0 77 230.271 3 ↓
Hi High (pH 8-9.5) 0.84 2.12 -10.51 3 5 0 74 230.271 3 ↓

Parameters Provided:

ring.id = 584165
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 = 584165 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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