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

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Popular Name: (1R)-N-(3-thienylmethyl)indan-1-amine (1R)-N-(3-thienylmethyl)indan-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) 2.93 8.17 -41.12 2 1 1 17 230.356 3 ↓

Analogs

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Popular Name: (1S)-N-(3-thienylmethyl)indan-1-amine (1S)-N-(3-thienylmethyl)indan-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) 2.93 8.15 -40.71 2 1 1 17 230.356 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]indan-1-amine (1R)-N-[(1R)-1-(2,5-dimethyl-3-t…

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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) 3.93 10.61 -37.94 2 1 1 17 272.437 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]indan-1-amine (1R)-N-[(1S)-1-(2,5-dimethyl-3-t…

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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) 3.93 10.44 -39.6 2 1 1 17 272.437 3 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]indan-1-amine (1S)-N-[(1R)-1-(2,5-dimethyl-3-t…

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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) 3.93 10.46 -39.62 2 1 1 17 272.437 3 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]indan-1-amine (1S)-N-[(1S)-1-(2,5-dimethyl-3-t…

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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) 3.93 10.55 -37.84 2 1 1 17 272.437 3 ↓

Analogs

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Popular Name: (1R,3S)-1,7-dimethyl-3-[[(1S)-1-(3-thienyl)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) 4.16 7.23 -36.48 3 2 1 37 288.436 3 ↓
Hi High (pH 8-9.5) 4.16 6.45 -3.98 2 2 0 32 287.428 3 ↓

Analogs

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Popular Name: (1S,3S)-1,7-dimethyl-3-[[(1S)-1-(3-thienyl)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) 4.16 6.89 -39.17 3 2 1 37 288.436 3 ↓
Hi High (pH 8-9.5) 4.16 6.02 -4.2 2 2 0 32 287.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1,7-dimethyl-3-[[(1S)-1-(3-thienyl)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) 4.16 7.31 -35.98 3 2 1 37 288.436 3 ↓
Hi High (pH 8-9.5) 4.16 6.3 -4.76 2 2 0 32 287.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1,7-dimethyl-3-[[(1S)-1-(3-thienyl)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) 4.16 7.11 -37.04 3 2 1 37 288.436 3 ↓
Hi High (pH 8-9.5) 4.16 6.24 -4.93 2 2 0 32 287.428 3 ↓

Analogs

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Popular Name: (1R)-1-[[(1S)-1-(3-thienyl)ethyl]amino]indan-4-ol (1R)-1-[[(1S)-1-(3-thienyl)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) 3.43 5.81 -40.67 3 2 1 37 260.382 3 ↓
Hi High (pH 8-9.5) 3.43 4.84 -4.18 2 2 0 32 259.374 3 ↓

Analogs

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Popular Name: (1R)-1-[[(1R)-1-(3-thienyl)ethyl]amino]indan-4-ol (1R)-1-[[(1R)-1-(3-thienyl)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) 3.43 5.92 -40.34 3 2 1 37 260.382 3 ↓
Hi High (pH 8-9.5) 3.43 4.99 -5.01 2 2 0 32 259.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1S)-1-(3-thienyl)ethyl]amino]indan-4-ol (1S)-1-[[(1S)-1-(3-thienyl)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) 3.43 6.01 -42.3 3 2 1 37 260.382 3 ↓
Hi High (pH 8-9.5) 3.43 4.95 -4.13 2 2 0 32 259.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1R)-1-(3-thienyl)ethyl]amino]indan-4-ol (1S)-1-[[(1R)-1-(3-thienyl)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) 3.43 5.82 -42.69 3 2 1 37 260.382 3 ↓
Hi High (pH 8-9.5) 3.43 4.82 -5.37 2 2 0 32 259.374 3 ↓

Analogs

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Popular Name: (1R)-5-bromo-N-[(1S)-1-(3-thienyl)ethyl]indan-1-amine (1R)-5-bromo-N-[(1S)-1-(3-thieny…

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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) 4.27 9.28 -42.26 2 1 1 17 323.279 3 ↓
Hi High (pH 8-9.5) 4.27 8.31 -2.37 1 1 0 12 322.271 3 ↓

Analogs

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Popular Name: (1R)-5-bromo-N-[(1R)-1-(3-thienyl)ethyl]indan-1-amine (1R)-5-bromo-N-[(1R)-1-(3-thieny…

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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) 4.27 9.37 -41.85 2 1 1 17 323.279 3 ↓
Hi High (pH 8-9.5) 4.27 8.46 -2.9 1 1 0 12 322.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-5-bromo-N-[(1S)-1-(3-thienyl)ethyl]indan-1-amine (1S)-5-bromo-N-[(1S)-1-(3-thieny…

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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) 4.27 9.49 -43.1 2 1 1 17 323.279 3 ↓
Hi High (pH 8-9.5) 4.27 8.43 -2.5 1 1 0 12 322.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-5-bromo-N-[(1R)-1-(3-thienyl)ethyl]indan-1-amine (1S)-5-bromo-N-[(1R)-1-(3-thieny…

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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) 4.27 9.3 -43.45 2 1 1 17 323.279 3 ↓
Hi High (pH 8-9.5) 4.27 8.3 -3.87 1 1 0 12 322.271 3 ↓

Parameters Provided:

ring.id = 25911
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 = 25911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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