UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]hexanamide N-cyclopropyl-N-[(5-methylthiazo…

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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) 2.92 -0.57 -17.48 1 5 0 62 309.435 8 ↓

Analogs

33693403
33693403

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Popular Name: 2-[cyclopropyl(isobutyl)amino]-N-(4,5-dimethylthiazol-2-yl)acetamide 2-[cyclopropyl(isobutyl)amino]-N…

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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) 2.50 8.09 -41.47 2 4 1 46 282.433 6 ↓
Mid Mid (pH 6-8) 2.32 8.01 -35.23 1 4 0 53 281.425 6 ↓

Analogs

4925066
4925066
4977373
4977373

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Popular Name: 2-[cyclopropyl(isobutyl)amino]-N-(4-methylthiazol-2-yl)acetamide 2-[cyclopropyl(isobutyl)amino]-N…

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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) 2.28 7.03 -40.96 2 4 1 46 268.406 6 ↓
Mid Mid (pH 6-8) 2.10 6.69 -32.37 1 4 0 53 267.398 6 ↓

Analogs

4918281
4918281
4925554
4925554
33803253
33803253

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Popular Name: 2-[cyclopropyl(isopentyl)amino]-N-(4,5-dimethylthiazol-2-yl)acetamide 2-[cyclopropyl(isopentyl)amino]-…

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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) 3.03 8.8 -41.94 2 4 1 46 296.46 7 ↓
Mid Mid (pH 6-8) 2.85 8.31 -36.21 1 4 0 53 295.452 7 ↓

Analogs

33797556
33797556

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Popular Name: 2-[cyclopropyl(ethyl)amino]-N-(4,5-dimethylthiazol-2-yl)acetamide 2-[cyclopropyl(ethyl)amino]-N-(4…

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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) 1.75 6.78 -40.25 2 4 1 46 254.379 5 ↓
Mid Mid (pH 6-8) 1.57 6.28 -36.53 1 4 0 53 253.371 5 ↓

Analogs

5074395
5074395
5074396
5074396

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Popular Name: 2-[cyclopropyl(ethyl)amino]-N-(4-methylthiazol-2-yl)acetamide 2-[cyclopropyl(ethyl)amino]-N-(4…

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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) 1.53 5.72 -39.56 2 4 1 46 240.352 5 ↓
Mid Mid (pH 6-8) 1.35 5.24 -33.38 1 4 0 53 239.344 5 ↓

Analogs

4925066
4925066
4977373
4977373

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Popular Name: 2-[cyclopropyl-[(1S)-1,2-dimethylpropyl]amino]-N-(4-methylthiazol-2-yl)acetamide 2-[cyclopropyl-[(1S)-1,2-dimethy…

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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) 2.61 7.29 -37 2 4 1 46 282.433 6 ↓
Mid Mid (pH 6-8) 2.42 6.76 -30.45 1 4 0 53 281.425 6 ↓

Analogs

4925066
4925066
4977373
4977373

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Popular Name: 2-[cyclopropyl-[(1R)-1,2-dimethylpropyl]amino]-N-(4-methylthiazol-2-yl)acetamide 2-[cyclopropyl-[(1R)-1,2-dimethy…

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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) 2.61 7.03 -38.78 2 4 1 46 282.433 6 ↓
Mid Mid (pH 6-8) 2.42 7.14 -32.59 1 4 0 53 281.425 6 ↓

Analogs

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Popular Name: 2-(cyclopropylamino)-N-(4-isopropylthiazol-2-yl)acetamide 2-(cyclopropylamino)-N-(4-isopro…

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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) 1.97 4.51 -44.01 3 4 1 59 240.352 5 ↓
Mid Mid (pH 6-8) 1.79 3.25 -34.92 2 4 0 65 239.344 5 ↓

Analogs

44651541
44651541

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-(4-ethyl-5-methyl-thiazol-2-yl)acetamide 2-[cyclopropyl(methyl)amino]-N-(…

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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) 1.95 6.62 -39.31 2 4 1 46 254.379 5 ↓
Mid Mid (pH 6-8) 1.77 6 -33.45 1 4 0 53 253.371 5 ↓

Analogs

5074395
5074395
5074396
5074396

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-(4-methylthiazol-2-yl)acetamide 2-[cyclopropyl(methyl)amino]-N-(…

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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) 1.16 5.15 -39.51 2 4 1 46 226.325 4 ↓
Mid Mid (pH 6-8) 0.97 4.55 -32.69 1 4 0 53 225.317 4 ↓

Analogs

33693403
33693403

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Popular Name: 2-[cyclopropyl-[(1S)-1,2-dimethylpropyl]amino]-N-(4,5-dimethylthiazol-2-yl)acetamide 2-[cyclopropyl-[(1S)-1,2-dimethy…

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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) 2.83 8.43 -38.2 2 4 1 46 296.46 6 ↓
Mid Mid (pH 6-8) 2.65 7.64 -34.27 1 4 0 53 295.452 6 ↓

Analogs

33693403
33693403

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Popular Name: 2-[cyclopropyl-[(1R)-1,2-dimethylpropyl]amino]-N-(4,5-dimethylthiazol-2-yl)acetamide 2-[cyclopropyl-[(1R)-1,2-dimethy…

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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) 2.83 8.09 -39.74 2 4 1 46 296.46 6 ↓
Mid Mid (pH 6-8) 2.65 8.17 -35.19 1 4 0 53 295.452 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-oxo-2-(thiazol-2-ylamino)ethyl]amino]acetic 2-[cyclopropyl-[2-oxo-2-(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) -0.73 5.49 -34.12 2 6 0 87 255.299 6 ↓
Mid Mid (pH 6-8) -0.92 4.96 -56.43 1 6 -1 93 254.291 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(4-methylthia…

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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) -0.51 5.77 -32.76 2 6 0 87 269.326 6 ↓
Mid Mid (pH 6-8) -0.69 5.27 -53.11 1 6 -1 93 268.318 6 ↓

Parameters Provided:

ring.id = 3066
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 = 3066 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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