UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-amino-N-[(1S,2R)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 7-amino-N-[(1S,2R)-2-methoxycycl…

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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) 1.89 3.08 -8.38 4 5 0 80 273.336 3 ↓

Analogs

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Popular Name: 7-amino-N-[(1S,2S)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 7-amino-N-[(1S,2S)-2-methoxycycl…

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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) 1.89 2.62 -11.03 4 5 0 80 273.336 3 ↓

Analogs

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Popular Name: 7-amino-N-[(1R,2R)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 7-amino-N-[(1R,2R)-2-methoxycycl…

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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) 1.89 2.62 -10.91 4 5 0 80 273.336 3 ↓

Analogs

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Popular Name: 7-amino-N-[(1R,2S)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 7-amino-N-[(1R,2S)-2-methoxycycl…

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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) 1.89 3.03 -8.7 4 5 0 80 273.336 3 ↓

Analogs

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Popular Name: 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide 7-amino-N-[1-(hydroxymethyl)cycl…

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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) 1.86 0.74 -9.53 5 5 0 91 273.336 3 ↓

Analogs

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Popular Name: 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide 5-amino-N-cyclopentyl-N-(2-hydro…

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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) 1.66 3.39 -11 4 5 0 82 287.363 4 ↓

Analogs

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Popular Name: 5-amino-N-[(1S,2R)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 5-amino-N-[(1S,2R)-2-methoxycycl…

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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) 1.51 3.05 -8.84 4 5 0 80 273.336 3 ↓

Analogs

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Popular Name: 5-amino-N-[(1S,2S)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 5-amino-N-[(1S,2S)-2-methoxycycl…

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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) 1.51 2.59 -11.42 4 5 0 80 273.336 3 ↓

Analogs

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Popular Name: 5-amino-N-[(1R,2R)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 5-amino-N-[(1R,2R)-2-methoxycycl…

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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) 1.51 2.59 -11.32 4 5 0 80 273.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2S)-2-methoxycyclopentyl]-1H-indole-2-carboxamide 5-amino-N-[(1R,2S)-2-methoxycycl…

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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) 1.51 3.01 -9.16 4 5 0 80 273.336 3 ↓

Analogs

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Popular Name: 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide 5-amino-N-[1-(hydroxymethyl)cycl…

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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) 1.48 0.71 -9.87 5 5 0 91 273.336 3 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-1-ethyl-indole-2-carboxamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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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) 2.41 5.82 -13.04 2 5 0 68 313.401 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-5,7-dimethoxy-1H-indole-2-carboxamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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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) 1.99 3.61 -17.83 3 7 0 98 345.399 6 ↓

Analogs

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Popular Name: 3-bromo-N-cyclopentyl-1-methyl-indole-2-carboxamide 3-bromo-N-cyclopentyl-1-methyl-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) 3.80 7.77 -9.14 1 3 0 34 321.218 2 ↓

Analogs

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Popular Name: 1-(1H-indole-2-carbonylamino)cyclopentanecarboxylic 1-(1H-indole-2-carbonylamino)cyc…

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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) 0.33 6.81 -59.41 2 5 -1 85 271.296 3 ↓

Analogs

37912527
37912527
37912528
37912528
35239252
35239252
35239250
35239250
35133175
35133175

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Popular Name: N-allyl-N-cyclopentyl-1H-indole-2-carboxamide N-allyl-N-cyclopentyl-1H-indole-…

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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) 3.88 9.47 -8.37 1 3 0 36 268.36 4 ↓

Parameters Provided:

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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 = 205987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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