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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

69382524
69382524
69382530
69382530
41192498
41192498

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine N-propyl-1-(4,5,6,7-tetrahydro-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) 4.45 8.58 -33.8 2 2 1 29 279.473 4 ↓
Hi High (pH 8-9.5) 4.45 7.82 -3.73 1 2 0 25 278.465 4 ↓

Analogs

41197977
41197977
41197979
41197979
41197981
41197981
68633037
68633037
71163070
71163070

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-isopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,2R)-N-isopropyl-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) 4.48 8.29 -31.76 2 2 1 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.48 7.67 -4.01 1 2 0 25 292.492 3 ↓

Analogs

41197979
41197979
41197981
41197981
68633037
68633037
71163070
71163070
71163071
71163071

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-isopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,2S)-N-isopropyl-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) 4.48 8.57 -31.21 2 2 1 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.48 7.69 -4.73 1 2 0 25 292.492 3 ↓

Analogs

41197981
41197981
68633037
68633037
71163070
71163070
71163071
71163071
71163072
71163072

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-isopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,2R)-N-isopropyl-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) 4.48 8.75 -30.43 2 2 1 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.48 7.95 -4.06 1 2 0 25 292.492 3 ↓

Analogs

68633037
68633037
71163070
71163070
71163071
71163071
71163072
71163072
71163073
71163073

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-isopropyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,2S)-N-isopropyl-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) 4.48 8.8 -31.42 2 2 1 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.48 7.71 -3.81 1 2 0 25 292.492 3 ↓

Analogs

41197985
41197985
41197987
41197987
41197989
41197989
71126770
71126770
71126771
71126771

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-isopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,3R)-N-isopropyl-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) 4.25 9.02 -31.47 2 2 1 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.25 7.58 -4.59 1 2 0 25 292.492 3 ↓

Analogs

41197987
41197987
41197989
41197989
71126770
71126770
71126771
71126771
71126774
71126774

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-isopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,3S)-N-isopropyl-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) 4.25 8.08 -25.4 2 2 0 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.25 8.01 -4.63 1 2 0 25 292.492 3 ↓

Analogs

41197989
41197989
71126770
71126770
71126771
71126771
71126774
71126774
71126776
71126776

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-isopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,3R)-N-isopropyl-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) 4.25 9.16 -23.22 2 2 0 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.25 7.28 -4.29 1 2 0 25 292.492 3 ↓

Analogs

71126770
71126770
71126771
71126771
71126774
71126774
71126776
71126776
41197983
41197983

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-isopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,3S)-N-isopropyl-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) 4.25 9.03 -31.19 2 2 1 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.25 7.58 -4.56 1 2 0 25 292.492 3 ↓

Analogs

41198023
41198023
41198026
41198026
41198035
41198035

Draw Identity 99% 90% 80% 70%

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

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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) 4.01 8.71 -28.95 2 2 1 29 293.5 3 ↓
Hi High (pH 8-9.5) 4.01 7.61 -3.66 1 2 0 25 292.492 3 ↓

Analogs

69382587
69382587
69382591
69382591
41198007
41198007
41198009
41198009

Draw Identity 99% 90% 80% 70%

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

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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) 4.24 8.32 -28.38 2 2 1 29 279.473 3 ↓
Hi High (pH 8-9.5) 4.24 7 -4.59 1 2 0 25 278.465 3 ↓

Parameters Provided:

ring.id = 521040
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 = 521040 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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