UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41192987
41192987
41189020
41189020
41189023
41189023

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Popular Name: (1R)-N-propyl-1-thiazol-2-yl-tetralin-1-amine (1R)-N-propyl-1-thiazol-2-yl-tet…

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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) 3.67 7.82 -33.65 2 2 1 29 273.425 4 ↓
Hi High (pH 8-9.5) 3.67 6.78 -4.93 1 2 0 25 272.417 4 ↓

Analogs

41189020
41189020
41189023
41189023
41192984
41192984

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Popular Name: (1S)-N-propyl-1-thiazol-2-yl-tetralin-1-amine (1S)-N-propyl-1-thiazol-2-yl-tet…

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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) 3.67 7.77 -33.78 2 2 1 29 273.425 4 ↓
Hi High (pH 8-9.5) 3.67 6.65 -5.35 1 2 0 25 272.417 4 ↓

Analogs

41192998
41192998
41188667
41188667
41188670
41188670

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Popular Name: (1R)-6-methoxy-N-propyl-1-thiazol-2-yl-tetralin-1-amine (1R)-6-methoxy-N-propyl-1-thiazo…

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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) 3.70 7.12 -35.98 2 3 1 39 303.451 5 ↓
Hi High (pH 8-9.5) 3.70 6.08 -5.92 1 3 0 34 302.443 5 ↓

Analogs

41188667
41188667
41192995
41192995
41188670
41188670

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Popular Name: (1S)-6-methoxy-N-propyl-1-thiazol-2-yl-tetralin-1-amine (1S)-6-methoxy-N-propyl-1-thiazo…

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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) 3.70 7.07 -36.09 2 3 1 39 303.451 5 ↓
Hi High (pH 8-9.5) 3.70 5.95 -6.22 1 3 0 34 302.443 5 ↓

Analogs

41193137
41193137
41188616
41188616
41188619
41188619

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Popular Name: (1R)-4,4-dimethyl-N-propyl-1-thiazol-2-yl-tetralin-1-amine (1R)-4,4-dimethyl-N-propyl-1-thi…

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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) 4.39 8.66 -33.75 2 2 1 29 301.479 4 ↓
Hi High (pH 8-9.5) 4.39 7.62 -4.63 1 2 0 25 300.471 4 ↓

Analogs

41188616
41188616
41188619
41188619
41193134
41193134

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Popular Name: (1S)-4,4-dimethyl-N-propyl-1-thiazol-2-yl-tetralin-1-amine (1S)-4,4-dimethyl-N-propyl-1-thi…

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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) 4.39 8.6 -33.85 2 2 1 29 301.479 4 ↓
Hi High (pH 8-9.5) 4.39 7.48 -5.03 1 2 0 25 300.471 4 ↓

Analogs

41193545
41193545
41189559
41189559
41189562
41189562

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Popular Name: (1R)-1-(4-methylthiazol-2-yl)-N-propyl-tetralin-1-amine (1R)-1-(4-methylthiazol-2-yl)-N-…

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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) 3.89 9.23 -31.07 2 2 1 29 287.452 4 ↓
Hi High (pH 8-9.5) 3.89 8 -4.96 1 2 0 25 286.444 4 ↓

Analogs

41189559
41189559
41189562
41189562
41193542
41193542

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Popular Name: (1S)-1-(4-methylthiazol-2-yl)-N-propyl-tetralin-1-amine (1S)-1-(4-methylthiazol-2-yl)-N-…

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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) 3.89 9.21 -30.7 2 2 1 29 287.452 4 ↓
Hi High (pH 8-9.5) 3.89 8.14 -4.58 1 2 0 25 286.444 4 ↓

Analogs

41194019
41194019
41190127
41190127
41190130
41190130

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Popular Name: (1R)-1-(4,5-dimethylthiazol-2-yl)-N-propyl-tetralin-1-amine (1R)-1-(4,5-dimethylthiazol-2-yl…

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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) 4.11 9.17 -33.13 2 2 1 29 301.479 4 ↓
Hi High (pH 8-9.5) 4.11 8.13 -5.54 1 2 0 25 300.471 4 ↓

Analogs

41190127
41190127
41190130
41190130
41194017
41194017

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Popular Name: (1S)-1-(4,5-dimethylthiazol-2-yl)-N-propyl-tetralin-1-amine (1S)-1-(4,5-dimethylthiazol-2-yl…

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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) 4.11 9.12 -33.22 2 2 1 29 301.479 4 ↓
Hi High (pH 8-9.5) 4.11 8 -6.08 1 2 0 25 300.471 4 ↓

Analogs

41195766
41195766
41198185
41198185
41198187
41198187

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Popular Name: (1R)-N-isopropyl-6-methoxy-1-thiazol-2-yl-tetralin-1-amine (1R)-N-isopropyl-6-methoxy-1-thi…

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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) 3.49 6.43 -29.54 2 3 1 39 303.451 4 ↓
Hi High (pH 8-9.5) 3.49 5.35 -6.05 1 3 0 34 302.443 4 ↓

Analogs

41198185
41198185
41198187
41198187
41195764
41195764

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Popular Name: (1S)-N-isopropyl-6-methoxy-1-thiazol-2-yl-tetralin-1-amine (1S)-N-isopropyl-6-methoxy-1-thi…

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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) 3.49 6.53 -31.78 2 3 1 39 303.451 4 ↓
Hi High (pH 8-9.5) 3.49 5.54 -6.33 1 3 0 34 302.443 4 ↓

Analogs

41195864
41195864

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Popular Name: (1R)-N-isopropyl-4,4-dimethyl-1-thiazol-2-yl-tetralin-1-amine (1R)-N-isopropyl-4,4-dimethyl-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) 4.19 8.01 -31.33 2 2 1 29 301.479 3 ↓
Hi High (pH 8-9.5) 4.19 6.89 -4.64 1 2 0 25 300.471 3 ↓

Analogs

41195862
41195862

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Popular Name: (1S)-N-isopropyl-4,4-dimethyl-1-thiazol-2-yl-tetralin-1-amine (1S)-N-isopropyl-4,4-dimethyl-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) 4.19 8.54 -32.48 2 2 1 29 301.479 3 ↓
Hi High (pH 8-9.5) 4.19 7.07 -5.04 1 2 0 25 300.471 3 ↓

Analogs

41196149
41196149

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Popular Name: (1R)-N-isopropyl-1-thiazol-2-yl-tetralin-1-amine (1R)-N-isopropyl-1-thiazol-2-yl-…

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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) 3.46 7.12 -27.4 2 2 1 29 273.425 3 ↓
Hi High (pH 8-9.5) 3.46 6.36 -5.01 1 2 0 25 272.417 3 ↓

Analogs

41196147
41196147

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Popular Name: (1S)-N-isopropyl-1-thiazol-2-yl-tetralin-1-amine (1S)-N-isopropyl-1-thiazol-2-yl-…

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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) 3.46 7.22 -29.57 2 2 1 29 273.425 3 ↓
Hi High (pH 8-9.5) 3.46 6.18 -5.11 1 2 0 25 272.417 3 ↓

Analogs

41196528
41196528

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Popular Name: (1S)-N-isopropyl-1-(4-methylthiazol-2-yl)tetralin-1-amine (1S)-N-isopropyl-1-(4-methylthia…

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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) 3.68 8.32 -32.36 2 2 1 29 287.452 3 ↓
Hi High (pH 8-9.5) 3.68 7.84 -3.83 1 2 0 25 286.444 3 ↓

Analogs

41196526
41196526

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Popular Name: (1R)-N-isopropyl-1-(4-methylthiazol-2-yl)tetralin-1-amine (1R)-N-isopropyl-1-(4-methylthia…

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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) 3.68 7.78 -31.27 2 2 1 29 287.452 3 ↓
Hi High (pH 8-9.5) 3.68 7.44 -5.78 1 2 0 25 286.444 3 ↓

Analogs

41196857
41196857
41199485
41199485
41199488
41199488

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Popular Name: (1S)-1-(4,5-dimethylthiazol-2-yl)-N-isopropyl-tetralin-1-amine (1S)-1-(4,5-dimethylthiazol-2-yl…

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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) 3.91 7.97 -26.83 2 2 1 29 301.479 3 ↓
Hi High (pH 8-9.5) 3.91 7.69 -5.61 1 2 0 25 300.471 3 ↓

Analogs

41199485
41199485
41199488
41199488
41196855
41196855

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Popular Name: (1R)-1-(4,5-dimethylthiazol-2-yl)-N-isopropyl-tetralin-1-amine (1R)-1-(4,5-dimethylthiazol-2-yl…

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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) 3.91 8.42 -26.91 2 2 1 29 301.479 3 ↓
Hi High (pH 8-9.5) 3.91 7.55 -5.65 1 2 0 25 300.471 3 ↓

Parameters Provided:

ring.id = 520593
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 = 520593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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