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

Analogs

41192578
41192578
41192581
41192581
41192584
41192584

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (1R,2S)-N-ethyl-2-phenyl-1-(4,5,…

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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) 4.56 9.72 -36.33 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.56 8.7 -5.31 1 2 0 25 300.471 5 ↓

Analogs

41192581
41192581
41192584
41192584
41192575
41192575

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (1S,2S)-N-ethyl-2-phenyl-1-(4,5,…

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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) 4.56 9.61 -30.67 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.56 8.78 -3.88 1 2 0 25 300.471 5 ↓

Analogs

41192584
41192584
41192575
41192575
41192578
41192578

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (1R,2R)-N-ethyl-2-phenyl-1-(4,5,…

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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) 4.56 9.59 -30.63 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.56 8.67 -4.33 1 2 0 25 300.471 5 ↓

Analogs

41192575
41192575
41192578
41192578
41192581
41192581

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (1S,2R)-N-ethyl-2-phenyl-1-(4,5,…

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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) 4.56 9.69 -35.53 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.56 8.52 -6.19 1 2 0 25 300.471 5 ↓

Analogs

41195727
41195727
41192342
41192342
41192339
41192339

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine N-[(1S)-2-phenyl-1-(4,5,6,7-tetr…

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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) 4.26 9.92 -37.83 2 2 1 29 301.479 6 ↓
Mid Mid (pH 6-8) 4.26 9.24 -3.63 1 2 0 25 300.471 6 ↓
Lo Low (pH 4.5-6) 4.26 10.34 -103.35 3 2 2 31 302.487 6 ↓

Analogs

41192342
41192342
41195725
41195725

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine N-[(1R)-2-phenyl-1-(4,5,6,7-tetr…

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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) 4.26 10.13 -32.05 2 2 1 29 301.479 6 ↓
Mid Mid (pH 6-8) 4.26 9.1 -4.2 1 2 0 25 300.471 6 ↓
Lo Low (pH 4.5-6) 4.26 10.51 -101.13 3 2 2 31 302.487 6 ↓

Analogs

41197997
41197997
41201458
41201458
41201461
41201461

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine N-[(1S)-2-phenyl-1-(4,5,6,7-tetr…

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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) 4.06 9.68 -34.7 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.06 8.87 -5.12 1 2 0 25 300.471 5 ↓

Analogs

41201458
41201458
41201461
41201461
41197995
41197995

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-phenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine N-[(1R)-2-phenyl-1-(4,5,6,7-tetr…

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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) 4.06 9.88 -29.63 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.06 8.98 -3.37 1 2 0 25 300.471 5 ↓

Parameters Provided:

ring.id = 520512
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 = 520512 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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