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

Analogs

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Popular Name: (2S)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (2S)-1-[4-(7H-pyrrolo[2,3-d]pyri…

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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) 0.40 2.79 -9.39 2 6 0 68 261.329 3 ↓
Mid Mid (pH 6-8) 0.40 5 -40.21 3 6 1 69 262.337 3 ↓

Analogs

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Popular Name: (2R)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (2R)-1-[4-(7H-pyrrolo[2,3-d]pyri…

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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) 0.40 2.74 -9.32 2 6 0 68 261.329 3 ↓
Mid Mid (pH 6-8) 0.40 4.98 -40.25 3 6 1 69 262.337 3 ↓

Analogs

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Popular Name: (2S)-3,3-dimethyl-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-2-ol (2S)-3,3-dimethyl-1-[4-(7H-pyrro…

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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 4.72 -8.65 2 6 0 68 303.41 4 ↓
Mid Mid (pH 6-8) 1.73 6.92 -41.14 3 6 1 69 304.418 4 ↓

Analogs

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Popular Name: (2R)-3,3-dimethyl-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-2-ol (2R)-3,3-dimethyl-1-[4-(7H-pyrro…

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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 4.66 -8.61 2 6 0 68 303.41 4 ↓
Mid Mid (pH 6-8) 1.73 6.89 -41.23 3 6 1 69 304.418 4 ↓

Analogs

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Popular Name: 4-[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(3S)-4-(2-ethoxyethyl)-3-meth…

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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) 1.36 8.02 -35.72 2 6 1 58 290.391 5 ↓
Mid Mid (pH 6-8) 1.36 5.84 -8.53 1 6 0 57 289.383 5 ↓

Analogs

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Popular Name: 4-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(3R)-3-ethyl-4-(2-methoxyethy…

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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) 1.52 7.98 -37.11 2 6 1 58 290.391 5 ↓
Mid Mid (pH 6-8) 1.52 6.4 -9 1 6 0 57 289.383 5 ↓

Analogs

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Popular Name: 4-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(3S)-3-ethyl-4-(2-methoxyethy…

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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) 1.52 7.67 -35.95 2 6 1 58 290.391 5 ↓
Mid Mid (pH 6-8) 1.52 5.44 -8.58 1 6 0 57 289.383 5 ↓

Analogs

21778701
21778701

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Popular Name: DNC010255 DNC010255

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT2C-2-E 5-hydroxytryptamine Receptor 2C (cluster #2 Of 2), Eukaryotic Eukaryotes 755 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 755 0.57 Functional ≤ 10μM

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) 0.07 4.54 -45.1 3 5 1 61 204.257 1 ↓
Hi High (pH 8-9.5) 0.07 3.24 -8.18 2 5 0 57 203.249 1 ↓

Parameters Provided:

ring.id = 403919
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 = 403919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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