UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41201431
41201431
41201434
41201434
41201437
41201437
41201596
41201596
41201599
41201599

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-cyclopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,2R)-N-cyclopropyl-2-methyl-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) 4.18 9.08 -33.7 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 4.18 8.07 -3.96 1 2 0 25 290.476 3 ↓

Analogs

41201434
41201434
41201437
41201437
41201596
41201596
41201599
41201599
71163102
71163102

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-cyclopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,2S)-N-cyclopropyl-2-methyl-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) 4.18 8.93 -33.26 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 4.18 8.08 -4.64 1 2 0 25 290.476 3 ↓

Analogs

41201437
41201437
41201596
41201596
41201599
41201599
71163102
71163102
71163103
71163103

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-cyclopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,2R)-N-cyclopropyl-2-methyl-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) 4.18 8.92 -31.96 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 4.18 8.28 -3.73 1 2 0 25 290.476 3 ↓

Analogs

41201596
41201596
41201599
41201599
71163102
71163102
71163103
71163103
71163104
71163104

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-cyclopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,2S)-N-cyclopropyl-2-methyl-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) 4.18 9.08 -32.34 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 4.18 8.44 -3.08 1 2 0 25 290.476 3 ↓

Analogs

41201443
41201443
41201446
41201446
41201449
41201449
71126837
71126837
71126838
71126838

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-cyclopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,3R)-N-cyclopropyl-3-methyl-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) 3.94 9.58 -28.8 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 3.94 7.97 -4.53 1 2 0 25 290.476 3 ↓

Analogs

41201446
41201446
41201449
41201449
71126837
71126837
71126838
71126838
71126840
71126840

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-cyclopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,3S)-N-cyclopropyl-3-methyl-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) 3.94 9.96 -26.8 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 3.94 8.74 -3.84 1 2 0 25 290.476 3 ↓

Analogs

41201449
41201449
71126837
71126837
71126838
71126838
71126840
71126840
71126842
71126842

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-cyclopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,3R)-N-cyclopropyl-3-methyl-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) 3.94 9.46 -26.5 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 3.94 9.25 -3.58 1 2 0 25 290.476 3 ↓

Analogs

71126837
71126837
71126838
71126838
71126840
71126840
71126842
71126842
41201440
41201440

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-cyclopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,3S)-N-cyclopropyl-3-methyl-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) 3.94 9.1 -28.43 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 3.94 8.34 -3.65 1 2 0 25 290.476 3 ↓

Analogs

41201571
41201571
41201375
41201375
41201378
41201378

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine N-cyclopropyl-4-methyl-1-(4,5,6,…

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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) 3.71 8.9 -28.73 2 2 1 29 291.484 3 ↓
Hi High (pH 8-9.5) 3.71 8.12 -3.58 1 2 0 25 290.476 3 ↓

Analogs

69382649
69382649
69382655
69382655
41201475
41201475
41201478
41201478

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine N-cyclopropyl-1-(4,5,6,7-tetrahy…

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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) 3.94 8.5 -28.2 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.94 7.74 -3.78 1 2 0 25 276.449 3 ↓

Parameters Provided:

ring.id = 521800
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 = 521800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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