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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[cyclopropyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]propanethioamide 3-[cyclopropyl-[[1-(1-ethylpropy…

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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) 1.73 8.12 -39.1 3 4 1 48 295.476 9 ↓
Mid Mid (pH 6-8) 1.73 5.7 -10.27 2 4 0 47 294.468 9 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]-N'-hydroxy-propanamidine 3-[cyclopropyl-[[1-(1-ethylpropy…

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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) 1.83 5.48 -35.47 4 6 1 81 294.423 9 ↓
Mid Mid (pH 6-8) 1.83 3.72 -8.15 3 6 0 80 293.415 9 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]amino]-N'-hydroxy-propanamidine 3-[cyclopropyl-[[1-[(1R)-1-methy…

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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) 1.32 4.75 -35.66 4 6 1 81 280.396 8 ↓
Mid Mid (pH 6-8) 1.32 2.73 -8.64 3 6 0 80 279.388 8 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]amino]-N'-hydroxy-propanamidine 3-[cyclopropyl-[[1-[(1S)-1-methy…

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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) 1.32 4.74 -35.83 4 6 1 81 280.396 8 ↓
Mid Mid (pH 6-8) 1.32 2.72 -8.61 3 6 0 80 279.388 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]propanamidine 3-[cyclopropyl-[[1-(1-ethylpropy…

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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) 1.90 6.68 -102.22 5 5 2 74 279.432 9 ↓
Mid Mid (pH 6-8) 1.90 4.26 -36.62 4 5 1 73 278.424 9 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]amino]propanoic 3-[cyclopropyl-[[1-(1-ethylpropy…

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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) 2.06 9.69 -39.69 1 5 0 62 279.384 9 ↓
Hi High (pH 8-9.5) 2.06 7.24 -48.46 0 5 -1 61 278.376 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.78 10.06 -31.12 1 5 1 49 294.419 10 ↓
Mid Mid (pH 6-8) 2.78 8.13 -7.88 0 5 0 47 293.411 10 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.27 9.36 -31.28 1 5 1 49 280.392 9 ↓
Mid Mid (pH 6-8) 2.27 7.47 -8.13 0 5 0 47 279.384 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.27 9.33 -31.45 1 5 1 49 280.392 9 ↓
Mid Mid (pH 6-8) 2.27 7.43 -8.15 0 5 0 47 279.384 9 ↓

Parameters Provided:

ring.id = 515081
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 = 515081 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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