UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41194434
41194434
41061159
41061159
41061160
41061160

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Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-propyl-tetrahydrothiophen-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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) 2.96 7.17 -37.99 2 2 1 29 271.475 5 ↓
Mid Mid (pH 6-8) 2.96 6.32 -4.88 1 2 0 25 270.467 5 ↓

Analogs

41194431
41194431
41061159
41061159
41061160
41061160

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-propyl-tetrahydrothiophen-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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) 2.96 7.08 -39.36 2 2 1 29 271.475 5 ↓
Mid Mid (pH 6-8) 2.96 6.3 -4.51 1 2 0 25 270.467 5 ↓

Analogs

41194841
41194841
41195189
41195189
41195192
41195192
41191323
41191323
41191326
41191326

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Popular Name: (3R)-3-(4-isopropylthiazol-2-yl)-N-propyl-tetrahydrothiophen-3-amine (3R)-3-(4-isopropylthiazol-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) 3.23 6.96 -38.59 2 2 1 29 271.475 5 ↓
Mid Mid (pH 6-8) 3.23 6.11 -4.39 1 2 0 25 270.467 5 ↓

Analogs

41195189
41195189
41195192
41195192
41191323
41191323
41191326
41191326
41194838
41194838

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Popular Name: (3S)-3-(4-isopropylthiazol-2-yl)-N-propyl-tetrahydrothiophen-3-amine (3S)-3-(4-isopropylthiazol-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) 3.23 6.88 -40.03 2 2 1 29 271.475 5 ↓
Mid Mid (pH 6-8) 3.23 6.11 -4.12 1 2 0 25 270.467 5 ↓

Analogs

41195192
41195192
41191323
41191323
41191326
41191326
41194841
41194841
41194838
41194838

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-propyl-tetrahydrothiophen-3-amine (3R)-3-(4-tert-butylthiazol-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) 3.89 7.52 -38.3 2 2 1 29 285.502 5 ↓
Mid Mid (pH 6-8) 3.89 6.68 -3.99 1 2 0 25 284.494 5 ↓

Analogs

41191323
41191323
41191326
41191326
41194841
41194841
41195189
41195189
41194838
41194838

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-propyl-tetrahydrothiophen-3-amine (3S)-3-(4-tert-butylthiazol-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) 3.89 7.43 -39.6 2 2 1 29 285.502 5 ↓
Mid Mid (pH 6-8) 3.89 6.66 -3.68 1 2 0 25 284.494 5 ↓

Analogs

41196881
41196881

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-isopropyl-tetrahydrothiophen-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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) 2.76 6.45 -36.43 2 2 1 29 271.475 4 ↓
Mid Mid (pH 6-8) 2.76 5.14 -5.31 1 2 0 25 270.467 4 ↓

Analogs

41196879
41196879

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Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-isopropyl-tetrahydrothiophen-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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) 2.76 6.73 -37.46 2 2 1 29 271.475 4 ↓
Mid Mid (pH 6-8) 2.76 5.81 -5.32 1 2 0 25 270.467 4 ↓

Analogs

41197176
41197176
41197475
41197475
41197477
41197477

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Popular Name: (3S)-N-isopropyl-3-(4-isopropylthiazol-2-yl)tetrahydrothiophen-3-amine (3S)-N-isopropyl-3-(4-isopropylt…

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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) 3.02 6.24 -37.11 2 2 1 29 271.475 4 ↓
Mid Mid (pH 6-8) 3.02 4.94 -4.84 1 2 0 25 270.467 4 ↓

Analogs

41197475
41197475
41197477
41197477
41197174
41197174

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Popular Name: (3R)-N-isopropyl-3-(4-isopropylthiazol-2-yl)tetrahydrothiophen-3-amine (3R)-N-isopropyl-3-(4-isopropylt…

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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) 3.02 6.53 -38.07 2 2 1 29 271.475 4 ↓
Mid Mid (pH 6-8) 3.02 5.61 -4.8 1 2 0 25 270.467 4 ↓

Analogs

41197477
41197477
41197174
41197174
41197176
41197176

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-isopropyl-tetrahydrothiophen-3-amine (3R)-3-(4-tert-butylthiazol-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) 3.69 7.07 -37.61 2 2 1 29 285.502 4 ↓
Mid Mid (pH 6-8) 3.69 6.1 -2.93 1 2 0 25 284.494 4 ↓

Analogs

41197174
41197174
41197176
41197176
41197475
41197475

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-isopropyl-tetrahydrothiophen-3-amine (3S)-3-(4-tert-butylthiazol-2-yl…

Find On: PubMed — Wikipedia — Google

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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) 3.69 6.8 -36.79 2 2 1 29 285.502 4 ↓
Mid Mid (pH 6-8) 3.69 5.54 -3.82 1 2 0 25 284.494 4 ↓

Parameters Provided:

ring.id = 520818
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 = 520818 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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