UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37817314
37817314
37817315
37817315

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Popular Name: 1-amino-N-[(1R)-indan-1-yl]-N-methyl-cyclohexanecarboxamide 1-amino-N-[(1R)-indan-1-yl]-N-me…

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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) 2.90 6.7 -46.17 3 3 1 48 273.4 2 ↓
Mid Mid (pH 6-8) 2.90 6.42 -7.01 2 3 0 46 272.392 2 ↓

Analogs

37817314
37817314
37817315
37817315

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Popular Name: 1-amino-N-[(1S)-indan-1-yl]-N-methyl-cyclohexanecarboxamide 1-amino-N-[(1S)-indan-1-yl]-N-me…

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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) 2.90 6.71 -47.84 3 3 1 48 273.4 2 ↓
Mid Mid (pH 6-8) 2.90 6.41 -6.71 2 3 0 46 272.392 2 ↓

Analogs

17052444
17052444
4650972
4650972
4650973
4650973

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Popular Name: (1S,2R)-2-[[(1S)-indan-1-yl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1S)-indan-1-yl]carb…

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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) 2.66 8.44 -61.82 1 4 -1 69 286.351 3 ↓
Lo Low (pH 4.5-6) 2.66 7.13 -12.32 2 4 0 66 287.359 3 ↓

Analogs

17052444
17052444
4650972
4650972
4650973
4650973

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-indan-1-yl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1R)-indan-1-yl]carb…

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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) 2.66 8.36 -66.39 1 4 -1 69 286.351 3 ↓
Lo Low (pH 4.5-6) 2.66 6.99 -12.79 2 4 0 66 287.359 3 ↓

Analogs

17052444
17052444
4650972
4650972
4650973
4650973

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Popular Name: (1S,2S)-2-[[(1S)-indan-1-yl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1S)-indan-1-yl]carb…

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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) 2.66 9.4 -64.31 1 4 -1 69 286.351 3 ↓
Lo Low (pH 4.5-6) 2.66 7.38 -13.35 2 4 0 66 287.359 3 ↓

Analogs

17052444
17052444
4650972
4650972
4650973
4650973

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-indan-1-yl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1R)-indan-1-yl]carb…

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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) 2.66 9.33 -60.81 1 4 -1 69 286.351 3 ↓
Lo Low (pH 4.5-6) 2.66 7.29 -12.02 2 4 0 66 287.359 3 ↓

Analogs

48416156
48416156
48416523
48416523
48416524
48416524

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Popular Name: 1-amino-N-[(1S)-indan-1-yl]cyclohexanecarboxamide 1-amino-N-[(1S)-indan-1-yl]cyclo…

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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) 2.65 5.3 -50.23 4 3 1 57 259.373 2 ↓
Mid Mid (pH 6-8) 2.65 5.03 -7.09 3 3 0 55 258.365 2 ↓

Analogs

48416156
48416156
48416523
48416523
48416524
48416524

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Popular Name: 1-amino-N-[(1R)-indan-1-yl]cyclohexanecarboxamide 1-amino-N-[(1R)-indan-1-yl]cyclo…

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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) 2.65 5.24 -50.44 4 3 1 57 259.373 2 ↓
Mid Mid (pH 6-8) 2.65 4.98 -6.82 3 3 0 55 258.365 2 ↓

Analogs

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Popular Name: N-[(1S)-5-chloroindan-1-yl]cyclohexanecarboxamide N-[(1S)-5-chloroindan-1-yl]cyclo…

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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) 4.21 8.65 -7.87 1 2 0 29 277.795 2 ↓

Analogs

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Popular Name: N-[(1R)-5-chloroindan-1-yl]cyclohexanecarboxamide N-[(1R)-5-chloroindan-1-yl]cyclo…

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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) 4.21 8.58 -7.68 1 2 0 29 277.795 2 ↓

Analogs

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Popular Name: N-[(1S)-4-chloroindan-1-yl]cyclohexanecarboxamide N-[(1S)-4-chloroindan-1-yl]cyclo…

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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) 4.18 8.63 -7.08 1 2 0 29 277.795 2 ↓

Analogs

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Popular Name: N-[(1R)-4-chloroindan-1-yl]cyclohexanecarboxamide N-[(1R)-4-chloroindan-1-yl]cyclo…

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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) 4.18 8.55 -7.22 1 2 0 29 277.795 2 ↓

Analogs

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Popular Name: N-[(1S)-4-fluoroindan-1-yl]cyclohexanecarboxamide N-[(1S)-4-fluoroindan-1-yl]cyclo…

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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) 3.67 8.2 -7.45 1 2 0 29 261.34 2 ↓

Analogs

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Popular Name: N-[(1R)-4-fluoroindan-1-yl]cyclohexanecarboxamide N-[(1R)-4-fluoroindan-1-yl]cyclo…

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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) 3.67 8.12 -7.59 1 2 0 29 261.34 2 ↓

Parameters Provided:

ring.id = 65936
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 = 65936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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