UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41198317
41198317

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Popular Name: (1R)-N-cyclopropyl-1-thiazol-2-yl-indan-1-amine (1R)-N-cyclopropyl-1-thiazol-2-y…

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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) 2.64 6.93 -29.97 2 2 1 29 257.382 3 ↓
Hi High (pH 8-9.5) 2.64 5.84 -5.29 1 2 0 25 256.374 3 ↓

Analogs

41198315
41198315

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Popular Name: (1S)-N-cyclopropyl-1-thiazol-2-yl-indan-1-amine (1S)-N-cyclopropyl-1-thiazol-2-y…

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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) 2.64 7.56 -31.7 2 2 1 29 257.382 3 ↓
Hi High (pH 8-9.5) 2.64 5.95 -5.52 1 2 0 25 256.374 3 ↓

Analogs

41198813
41198813
41196409
41196409
41196411
41196411

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Popular Name: (1S)-N-cyclopropyl-1-(4-methylthiazol-2-yl)indan-1-amine (1S)-N-cyclopropyl-1-(4-methylth…

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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) 2.86 7.91 -34.28 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 2.86 6.83 -5.06 1 2 0 25 270.401 3 ↓

Analogs

41196409
41196409
41196411
41196411
41198810
41198810

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Popular Name: (1R)-N-cyclopropyl-1-(4-methylthiazol-2-yl)indan-1-amine (1R)-N-cyclopropyl-1-(4-methylth…

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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) 2.86 7.67 -35.11 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 2.86 7.19 -5.19 1 2 0 25 270.401 3 ↓

Analogs

41199376
41199376
41199878
41199878
41199880
41199880
41196781
41196781
41196783
41196783

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Popular Name: (1S)-N-cyclopropyl-1-(4,5-dimethylthiazol-2-yl)indan-1-amine (1S)-N-cyclopropyl-1-(4,5-dimeth…

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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) 3.08 8.66 -29.94 2 2 1 29 285.436 3 ↓
Hi High (pH 8-9.5) 3.08 7.7 -5.4 1 2 0 25 284.428 3 ↓
Lo Low (pH 4.5-6) 3.08 9.11 -88.09 3 2 2 31 286.444 3 ↓

Analogs

41199878
41199878
41199880
41199880
41196781
41196781
41196783
41196783
41199373
41199373

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Popular Name: (1R)-N-cyclopropyl-1-(4,5-dimethylthiazol-2-yl)indan-1-amine (1R)-N-cyclopropyl-1-(4,5-dimeth…

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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) 3.08 8.4 -29.13 2 2 1 29 285.436 3 ↓
Hi High (pH 8-9.5) 3.08 7.36 -6.19 1 2 0 25 284.428 3 ↓
Lo Low (pH 4.5-6) 3.08 8.83 -88.98 3 2 2 31 286.444 3 ↓

Analogs

41199880
41199880
41197097
41197097
41197099
41197099
41199373
41199373
41199376
41199376

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Popular Name: (1S)-N-cyclopropyl-1-(4-ethyl-5-methyl-thiazol-2-yl)indan-1-amine (1S)-N-cyclopropyl-1-(4-ethyl-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) 3.65 9.38 -33.61 2 2 1 29 299.463 4 ↓
Hi High (pH 8-9.5) 3.65 8.31 -5.35 1 2 0 25 298.455 4 ↓
Lo Low (pH 4.5-6) 3.65 9.86 -88.53 3 2 2 31 300.471 4 ↓

Analogs

41197097
41197097
41197099
41197099
41199373
41199373
41199376
41199376
41199878
41199878

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-1-(4-ethyl-5-methyl-thiazol-2-yl)indan-1-amine (1R)-N-cyclopropyl-1-(4-ethyl-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) 3.65 9.13 -34.53 2 2 1 29 299.463 4 ↓
Hi High (pH 8-9.5) 3.65 8.67 -5.36 1 2 0 25 298.455 4 ↓
Lo Low (pH 4.5-6) 3.65 9.59 -89.2 3 2 2 31 300.471 4 ↓

Analogs

41200343
41200343
41197397
41197397
41197399
41197399

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Popular Name: (1S)-N-cyclopropyl-1-(4-isopropylthiazol-2-yl)indan-1-amine (1S)-N-cyclopropyl-1-(4-isopropy…

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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) 3.91 9.18 -34.14 2 2 1 29 299.463 4 ↓
Hi High (pH 8-9.5) 3.91 8.1 -4.79 1 2 0 25 298.455 4 ↓

Analogs

41197397
41197397
41197399
41197399
41200340
41200340

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Popular Name: (1R)-N-cyclopropyl-1-(4-isopropylthiazol-2-yl)indan-1-amine (1R)-N-cyclopropyl-1-(4-isopropy…

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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) 3.91 8.84 -35.95 2 2 1 29 299.463 4 ↓
Hi High (pH 8-9.5) 3.91 8.35 -4.7 1 2 0 25 298.455 4 ↓

Parameters Provided:

ring.id = 521509
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 = 521509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=521509&filter.purchasability=annotated

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