UCSF
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Analogs

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Popular Name: (1R,3R)-1,7-dimethyl-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indan-4-ol (1R,3R)-1,7-dimethyl-3-[[(1S)-1-…

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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) 3.40 6.86 -38.67 3 3 1 50 283.395 3 ↓

Analogs

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Popular Name: (1S,3R)-1,7-dimethyl-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indan-4-ol (1S,3R)-1,7-dimethyl-3-[[(1S)-1-…

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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) 3.40 7.08 -37.95 3 3 1 50 283.395 3 ↓

Analogs

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Popular Name: (1R,3S)-1,7-dimethyl-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indan-4-ol (1R,3S)-1,7-dimethyl-3-[[(1S)-1-…

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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) 3.40 7.24 -37.68 3 3 1 50 283.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1,7-dimethyl-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indan-4-ol (1S,3S)-1,7-dimethyl-3-[[(1S)-1-…

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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) 3.40 7.5 -37.39 3 3 1 50 283.395 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(2-pyridyl)ethyl]indan-1-amine (1R)-N-[(1R)-1-(2-pyridyl)ethyl]…

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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) 2.73 8.38 -34.27 2 2 1 29 239.342 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(2-pyridyl)ethyl]indan-1-amine (1R)-N-[(1S)-1-(2-pyridyl)ethyl]…

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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) 2.73 8.17 -33.96 2 2 1 29 239.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(2-pyridyl)ethyl]indan-1-amine (1S)-N-[(1R)-1-(2-pyridyl)ethyl]…

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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) 2.73 8.17 -33.94 2 2 1 29 239.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(2-pyridyl)ethyl]indan-1-amine (1S)-N-[(1S)-1-(2-pyridyl)ethyl]…

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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) 2.73 8.39 -34.32 2 2 1 29 239.342 3 ↓

Analogs

44677329
44677329
44677330
44677330
44677331
44677331
44677332
44677332

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

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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) 3.37 7.87 -39.59 2 3 1 39 283.395 4 ↓
Hi High (pH 8-9.5) 3.37 6.72 -5.31 1 3 0 34 282.387 4 ↓

Analogs

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

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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) 3.37 8.02 -39.99 2 3 1 39 283.395 4 ↓
Hi High (pH 8-9.5) 3.37 6.53 -5.56 1 3 0 34 282.387 4 ↓

Analogs

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Popular Name: (1R)-N-[(6-methoxy-2-pyridyl)methyl]indan-1-amine (1R)-N-[(6-methoxy-2-pyridyl)met…

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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) 2.57 5.82 -38.7 2 3 1 39 255.341 4 ↓
Hi High (pH 8-9.5) 2.57 4.67 -5.46 1 3 0 34 254.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(6-methoxy-2-pyridyl)methyl]indan-1-amine (1S)-N-[(6-methoxy-2-pyridyl)met…

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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) 2.57 5.98 -42.01 2 3 1 39 255.341 4 ↓
Hi High (pH 8-9.5) 2.57 4.57 -7.38 1 3 0 34 254.333 4 ↓

Parameters Provided:

ring.id = 24033
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 = 24033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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