UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48675059
48675059
6596758
6596758
25769195
25769195
25768286
25768286

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Popular Name: (2S)-2-cyano-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-phenyl-propanamide (2S)-2-cyano-N-(5,6-dihydro-4H-c…

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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) 3.10 8.67 -14.59 1 4 0 66 297.383 4 ↓
Hi High (pH 8-9.5) 3.28 7.22 -44.88 0 4 -1 72 296.375 4 ↓

Analogs

48675059
48675059
6596758
6596758
25769195
25769195
25768286
25768286

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Popular Name: (2R)-2-cyano-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-phenyl-propanamide (2R)-2-cyano-N-(5,6-dihydro-4H-c…

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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) 3.10 8.67 -14.59 1 4 0 66 297.383 4 ↓
Hi High (pH 8-9.5) 3.28 7.22 -44.83 0 4 -1 72 296.375 4 ↓

Analogs

25768286
25768286
25768416
25768416
25769198
25769198
25769230
25769230
25769246
25769246

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Popular Name: 3-(4-chlorophenyl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)propanamide 3-(4-chlorophenyl)-N-(5,6-dihydr…

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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) 4.14 9.15 -15.94 1 3 0 42 306.818 4 ↓

Analogs

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Popular Name: (3R)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-(2-fluorophenyl)-3-ureido-propanamide (3R)-N-(5,6-dihydro-4H-cyclopent…

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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) 1.27 4.02 -15.56 4 6 0 97 348.403 5 ↓

Analogs

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Popular Name: (3S)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-(2-fluorophenyl)-3-ureido-propanamide (3S)-N-(5,6-dihydro-4H-cyclopent…

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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) 1.27 4.03 -15.55 4 6 0 97 348.403 5 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)propanamide 3-(4-aminophenyl)-N-(5,6-dihydro…

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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) 2.54 6.44 -15.04 3 4 0 68 287.388 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-phenyl-propanamide (2S)-2-amino-N-(5,6-dihydro-4H-c…

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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) 1.81 5.57 -14.41 3 4 0 68 287.388 4 ↓
Mid Mid (pH 6-8) 2.73 5.13 -35.41 4 4 1 73 288.396 3 ↓

Analogs

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Popular Name: (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-phenyl-propanamide (2R)-2-amino-N-(5,6-dihydro-4H-c…

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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) 1.81 5.6 -13.56 3 4 0 68 287.388 4 ↓
Mid Mid (pH 6-8) 2.73 5.13 -35.36 4 4 1 73 288.396 3 ↓

Analogs

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Popular Name: (3R)-3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-phenyl-propanamide (3R)-3-amino-N-(5,6-dihydro-4H-c…

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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) 0.52 6.03 -45.71 4 4 1 70 288.396 4 ↓
Hi High (pH 8-9.5) 1.45 4.93 -8.38 3 4 0 71 287.388 3 ↓

Analogs

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Popular Name: (3S)-3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-phenyl-propanamide (3S)-3-amino-N-(5,6-dihydro-4H-c…

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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) 0.52 6.03 -45.74 4 4 1 70 288.396 4 ↓
Hi High (pH 8-9.5) 1.45 4.91 -9.22 3 4 0 71 287.388 3 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-(4-hydroxyphenyl)propanamide (2S)-2-amino-N-(5,6-dihydro-4H-c…

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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) 1.33 2.74 -15.65 4 5 0 88 303.387 4 ↓
Mid Mid (pH 6-8) 2.25 2.28 -38.32 5 5 1 93 304.395 3 ↓

Parameters Provided:

ring.id = 10171
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 = 10171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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