UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(1S)-1-(1-methylcyclopropyl)ethyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(1S)-…

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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) 1.82 8.97 -35.82 2 3 1 34 234.367 4 ↓
Mid Mid (pH 6-8) 1.82 10.12 -98.02 3 3 2 36 235.375 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(1R)-1-(1-methylcyclopropyl)ethyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(1R)-…

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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) 1.82 9.22 -35.12 2 3 1 34 234.367 4 ↓
Mid Mid (pH 6-8) 1.82 10.37 -97.39 3 3 2 36 235.375 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(1S)-1-(1-methylcyclopropyl)ethyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(1S)-…

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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) 1.82 8.78 -43.35 2 3 1 34 234.367 4 ↓
Mid Mid (pH 6-8) 1.82 9.52 -97.61 3 3 2 36 235.375 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(1R)-1-(1-methylcyclopropyl)ethyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(1R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.82 8.6 -43.73 2 3 1 34 234.367 4 ↓
Mid Mid (pH 6-8) 1.82 9.34 -98.49 3 3 2 36 235.375 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-1-cyclopropylethyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1S)-1-cyclopropyleth…

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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 8.38 -35.69 2 3 1 34 220.34 4 ↓
Mid Mid (pH 6-8) 1.86 9.52 -97.33 3 3 2 36 221.348 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-1-cyclopropylethyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1R)-1-cyclopropyleth…

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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 8.46 -35.78 2 3 1 34 220.34 4 ↓
Mid Mid (pH 6-8) 1.86 9.6 -97.23 3 3 2 36 221.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-cyclopropylethyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1S)-1-cyclopropyleth…

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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 8.04 -44.48 2 3 1 34 220.34 4 ↓
Mid Mid (pH 6-8) 1.86 8.78 -97.77 3 3 2 36 221.348 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-cyclopropylethyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1R)-1-cyclopropyleth…

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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 8.15 -44.63 2 3 1 34 220.34 4 ↓
Mid Mid (pH 6-8) 1.86 8.89 -97.11 3 3 2 36 221.348 4 ↓

Analogs

19090131
19090131
19090134
19090134

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Popular Name: (1S,2R)-N-(cyclopropylmethyl)-2-imidazol-1-yl-cyclopentanamine (1S,2R)-N-(cyclopropylmethyl)-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) 1.53 8.07 -38.15 2 3 1 34 206.313 4 ↓
Mid Mid (pH 6-8) 1.53 8.58 -100.39 3 3 2 36 207.321 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(cyclopropylmethyl)-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-(cyclopropylmethyl)-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) 1.53 7.74 -46.43 2 3 1 34 206.313 4 ↓
Mid Mid (pH 6-8) 1.53 8.25 -97.25 3 3 2 36 207.321 4 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(cyclopropylmethyl)-2-imidazol-1-yl-cyclopentanamine (1R,2R)-N-(cyclopropylmethyl)-2-…

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Activity (Go SEA)

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 7.74 -46.22 2 3 1 34 206.313 4 ↓
Mid Mid (pH 6-8) 1.53 8.25 -97.45 3 3 2 36 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(cyclopropylmethyl)-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-(cyclopropylmethyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.78 -39.36 2 3 1 34 206.313 4 ↓
Mid Mid (pH 6-8) 1.53 8.3 -99.12 3 3 2 36 207.321 4 ↓

Parameters Provided:

ring.id = 150381
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 = 150381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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