UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41189076
41189076

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Popular Name: N-propyl-2-thiazol-2-yl-indan-2-amine N-propyl-2-thiazol-2-yl-indan-2-…

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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) 3.09 7.31 -32.16 2 2 1 29 259.398 4 ↓
Mid Mid (pH 6-8) 3.09 6.22 -4.36 1 2 0 25 258.39 4 ↓

Analogs

41189651
41189651

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Popular Name: 2-(4-methylthiazol-2-yl)-N-propyl-indan-2-amine 2-(4-methylthiazol-2-yl)-N-propy…

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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) 3.31 7.97 -35.48 2 2 1 29 273.425 4 ↓
Mid Mid (pH 6-8) 3.31 7.23 -4.34 1 2 0 25 272.417 4 ↓
Lo Low (pH 4.5-6) 3.31 8.37 -99.8 3 2 2 31 274.433 4 ↓

Analogs

41190215
41190215

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Popular Name: 2-(4,5-dimethylthiazol-2-yl)-N-propyl-indan-2-amine 2-(4,5-dimethylthiazol-2-yl)-N-p…

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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) 3.53 8.67 -31.61 2 2 1 29 287.452 4 ↓
Mid Mid (pH 6-8) 3.53 7.56 -4.92 1 2 0 25 286.444 4 ↓
Lo Low (pH 4.5-6) 3.53 9.12 -97.4 3 2 2 31 288.46 4 ↓

Analogs

41190687
41190687

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Popular Name: 2-(4-ethyl-5-methyl-thiazol-2-yl)-N-propyl-indan-2-amine 2-(4-ethyl-5-methyl-thiazol-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) 4.10 9.45 -34.77 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.10 8.71 -4.66 1 2 0 25 300.471 5 ↓
Lo Low (pH 4.5-6) 4.10 9.88 -97.89 3 2 2 31 302.487 5 ↓

Analogs

41191167
41191167
41191596
41191596

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Popular Name: 2-(4-isopropylthiazol-2-yl)-N-propyl-indan-2-amine 2-(4-isopropylthiazol-2-yl)-N-pr…

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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) 4.37 9.25 -35.43 2 2 1 29 301.479 5 ↓
Mid Mid (pH 6-8) 4.37 8.5 -4.01 1 2 0 25 300.471 5 ↓
Lo Low (pH 4.5-6) 4.37 9.64 -101 3 2 2 31 302.487 5 ↓

Analogs

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Popular Name: N-isopropyl-2-thiazol-2-yl-indan-2-amine N-isopropyl-2-thiazol-2-yl-indan…

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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) 2.88 7.1 -30.53 2 2 1 29 259.398 3 ↓
Mid Mid (pH 6-8) 2.88 6.06 -4.46 1 2 0 25 258.39 3 ↓

Analogs

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Popular Name: N-isopropyl-2-(4-methylthiazol-2-yl)indan-2-amine N-isopropyl-2-(4-methylthiazol-2…

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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 7.45 -33.47 2 2 1 29 273.425 3 ↓
Mid Mid (pH 6-8) 3.10 6.41 -4.14 1 2 0 25 272.417 3 ↓

Analogs

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Popular Name: 2-(4,5-dimethylthiazol-2-yl)-N-isopropyl-indan-2-amine 2-(4,5-dimethylthiazol-2-yl)-N-i…

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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) 3.33 8.29 -29.99 2 2 1 29 287.452 3 ↓
Mid Mid (pH 6-8) 3.33 7.43 -4.82 1 2 0 25 286.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-5-methyl-thiazol-2-yl)-N-isopropyl-indan-2-amine 2-(4-ethyl-5-methyl-thiazol-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) 3.90 8.93 -32.75 2 2 1 29 301.479 4 ↓
Mid Mid (pH 6-8) 3.90 8.29 -5 1 2 0 25 300.471 4 ↓

Analogs

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Popular Name: N-isopropyl-2-(4-isopropylthiazol-2-yl)indan-2-amine N-isopropyl-2-(4-isopropylthiazo…

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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) 4.16 8.73 -33.38 2 2 1 29 301.479 4 ↓
Mid Mid (pH 6-8) 4.16 8.09 -4.45 1 2 0 25 300.471 4 ↓

Parameters Provided:

ring.id = 520547
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 = 520547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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