UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,5-dimethyl-3-[2-[[(1R,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-di 5,5-dimethyl-3-[2-[[(1R,2S)-1-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) 0.91 4.48 -46.43 3 7 1 84 308.406 6 ↓
Mid Mid (pH 6-8) 0.91 3.5 -10.17 2 7 0 79 307.398 6 ↓

Analogs

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Popular Name: 5,5-dimethyl-3-[2-[[(1R,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-di 5,5-dimethyl-3-[2-[[(1R,2R)-1-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) 0.91 3.96 -45.61 3 7 1 84 308.406 6 ↓
Mid Mid (pH 6-8) 0.91 2.86 -11.73 2 7 0 79 307.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-3-[2-[[(1S,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-di 5,5-dimethyl-3-[2-[[(1S,2S)-1-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) 0.91 3.99 -46.18 3 7 1 84 308.406 6 ↓
Mid Mid (pH 6-8) 0.91 2.96 -11.33 2 7 0 79 307.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-3-[2-[[(1S,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-di 5,5-dimethyl-3-[2-[[(1S,2R)-1-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) 0.91 4.49 -45.93 3 7 1 84 308.406 6 ↓
Mid Mid (pH 6-8) 0.91 3.29 -10.97 2 7 0 79 307.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-3-[2-[[(1R)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]ethyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[2-[[(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) 0.55 3.97 -40.8 3 7 1 84 294.379 6 ↓
Mid Mid (pH 6-8) 0.55 2.59 -12.47 2 7 0 79 293.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-3-[2-[[(1S)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]ethyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[2-[[(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) 0.55 4.2 -36.34 3 7 1 84 294.379 6 ↓
Mid Mid (pH 6-8) 0.55 3 -12.07 2 7 0 79 293.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-dione 3-[2-[[(1R,2S)-1-methyl-2-(4-met…

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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) 0.10 3.09 -47.89 3 7 1 84 280.352 6 ↓
Mid Mid (pH 6-8) 0.10 2.12 -11.93 2 7 0 79 279.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-dione 3-[2-[[(1R,2R)-1-methyl-2-(4-met…

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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) 0.10 2.58 -47.12 3 7 1 84 280.352 6 ↓
Mid Mid (pH 6-8) 0.10 1.48 -13.52 2 7 0 79 279.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1S,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-dione 3-[2-[[(1S,2S)-1-methyl-2-(4-met…

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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) 0.10 2.6 -47.71 3 7 1 84 280.352 6 ↓
Mid Mid (pH 6-8) 0.10 1.58 -13.16 2 7 0 79 279.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1S,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]ethyl]imidazolidine-2,4-dione 3-[2-[[(1S,2R)-1-methyl-2-(4-met…

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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) 0.10 3.1 -47.46 3 7 1 84 280.352 6 ↓
Mid Mid (pH 6-8) 0.10 1.91 -12.76 2 7 0 79 279.344 6 ↓

Parameters Provided:

ring.id = 354458
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 = 354458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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