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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-chloro-4-(cyclopentylsulfanylmethyl)-1,3-dimethyl-pyrazole 5-chloro-4-(cyclopentylsulfanylm…

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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) 3.23 7.88 -4.95 0 2 0 18 244.791 3 ↓

Analogs

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Popular Name: (2S)-2-cyclopentylsulfanyl-2-(1-methylpyrazol-4-yl)ethanamine (2S)-2-cyclopentylsulfanyl-2-(1-…

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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) 1.00 4.87 -47.59 3 3 1 45 226.369 4 ↓
Hi High (pH 8-9.5) 1.00 4.53 -6.59 2 3 0 44 225.361 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopentylsulfanyl-2-(1-methylpyrazol-4-yl)ethanamine (2R)-2-cyclopentylsulfanyl-2-(1-…

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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) 1.00 5 -46.2 3 3 1 45 226.369 4 ↓
Hi High (pH 8-9.5) 1.00 4.63 -6.34 2 3 0 44 225.361 4 ↓

Analogs

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Popular Name: (1R,2S)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)propan-2-amine (1R,2S)-1-cyclopentylsulfanyl-1-…

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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) 1.40 5.47 -39.51 3 3 1 45 240.396 4 ↓
Hi High (pH 8-9.5) 1.40 5.22 -5.12 2 3 0 44 239.388 4 ↓

Analogs

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Popular Name: (1R,2R)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)propan-2-amine (1R,2R)-1-cyclopentylsulfanyl-1-…

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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) 1.40 5.58 -43.33 3 3 1 45 240.396 4 ↓
Hi High (pH 8-9.5) 1.40 5.27 -5.05 2 3 0 44 239.388 4 ↓

Analogs

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Popular Name: (1S,2S)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)propan-2-amine (1S,2S)-1-cyclopentylsulfanyl-1-…

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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) 1.40 5.18 -45.96 3 3 1 45 240.396 4 ↓
Hi High (pH 8-9.5) 1.40 4.86 -5.55 2 3 0 44 239.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)propan-2-amine (1S,2R)-1-cyclopentylsulfanyl-1-…

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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) 1.40 5.57 -39.61 3 3 1 45 240.396 4 ↓
Hi High (pH 8-9.5) 1.40 4.93 -4.16 2 3 0 44 239.388 4 ↓

Analogs

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Popular Name: (1R,2S)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)butan-2-amine (1R,2S)-1-cyclopentylsulfanyl-1-…

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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) 1.94 6.37 -42.53 3 3 1 45 254.423 5 ↓
Hi High (pH 8-9.5) 1.94 6.04 -5.03 2 3 0 44 253.415 5 ↓

Analogs

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Popular Name: (1R,2R)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)butan-2-amine (1R,2R)-1-cyclopentylsulfanyl-1-…

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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) 1.94 6.36 -43.01 3 3 1 45 254.423 5 ↓
Hi High (pH 8-9.5) 1.94 6.07 -4.9 2 3 0 44 253.415 5 ↓

Analogs

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Popular Name: (1S,2S)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)butan-2-amine (1S,2S)-1-cyclopentylsulfanyl-1-…

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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) 1.94 5.96 -45.62 3 3 1 45 254.423 5 ↓
Hi High (pH 8-9.5) 1.94 5.67 -5.39 2 3 0 44 253.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)butan-2-amine (1S,2R)-1-cyclopentylsulfanyl-1-…

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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) 1.94 6.06 -42.15 3 3 1 45 254.423 5 ↓
Hi High (pH 8-9.5) 1.94 5.74 -4.03 2 3 0 44 253.415 5 ↓

Analogs

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Popular Name: 4-(cyclopentylsulfanylmethyl)-N,2,5-trimethyl-pyrazol-3-amine 4-(cyclopentylsulfanylmethyl)-N,…

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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 7.1 -25.97 2 3 1 31 240.396 4 ↓
Mid Mid (pH 6-8) 2.41 6.97 -7.2 1 3 0 30 239.388 4 ↓

Analogs

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Popular Name: 4-(cyclopentylsulfanylmethyl)-N-ethyl-2,5-dimethyl-pyrazol-3-amine 4-(cyclopentylsulfanylmethyl)-N-…

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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) 2.79 7.77 -6.6 1 3 0 30 253.415 5 ↓
Mid Mid (pH 6-8) 2.79 7.9 -25.61 2 3 1 31 254.423 5 ↓

Analogs

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Popular Name: 4-(cyclopentylsulfanylmethyl)-2,5-dimethyl-N-propyl-pyrazol-3-amine 4-(cyclopentylsulfanylmethyl)-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) 3.29 8.53 -6.29 1 3 0 30 267.442 6 ↓
Mid Mid (pH 6-8) 3.29 8.66 -25.74 2 3 1 31 268.45 6 ↓

Analogs

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Popular Name: 4-(cyclopentylsulfanylmethyl)-2,5-dimethyl-pyrazol-3-amine 4-(cyclopentylsulfanylmethyl)-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) 2.04 6.49 -26.95 3 3 1 45 226.369 3 ↓
Mid Mid (pH 6-8) 2.04 6.36 -7.2 2 3 0 44 225.361 3 ↓

Analogs

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Popular Name: [4-(cyclopentylsulfanylmethyl)-2,5-dimethyl-pyrazol-3-yl]hydrazine [4-(cyclopentylsulfanylmethyl)-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) 1.80 6.25 -25.99 4 4 1 57 241.384 4 ↓
Mid Mid (pH 6-8) 1.97 6.24 -10.1 3 4 0 59 240.376 3 ↓

Parameters Provided:

ring.id = 284239
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 = 284239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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