UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(6-methoxy-1-methyl-indol-3-yl)-1-piperazin-1-yl-propan-1-one 3-(6-methoxy-1-methyl-indol-3-yl…

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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 6.92 -52.31 2 5 1 51 302.398 4 ↓
Mid Mid (pH 6-8) 1.53 5.62 -11.17 1 5 0 47 301.39 4 ↓

Analogs

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Popular Name: 3-(4-methoxy-1-methyl-indol-3-yl)-1-piperazin-1-yl-propan-1-one 3-(4-methoxy-1-methyl-indol-3-yl…

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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) 1.51 6.94 -52.03 2 5 1 51 302.398 4 ↓
Mid Mid (pH 6-8) 1.51 5.65 -12.05 1 5 0 47 301.39 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]acetamide N-[(1S)-1-(1H-indol-3-ylmethyl)-…

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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) 0.02 3.76 -24.76 2 8 0 103 392.481 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]acetamide N-[(1R)-1-(1H-indol-3-ylmethyl)-…

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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) 0.02 4.12 -22.48 2 8 0 103 392.481 5 ↓

Analogs

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Popular Name: 2-[4-[3-(1H-indol-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide 2-[4-[3-(1H-indol-3-yl)propanoyl…

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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) 1.89 5.05 -17.23 2 7 0 78 386.496 9 ↓

Analogs

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Popular Name: 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one 1-[(2S,6R)-2,6-dimethylpiperazin…

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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) 2.09 6.69 -49.6 3 4 1 53 286.399 3 ↓
Mid Mid (pH 6-8) 2.09 5.37 -8.73 2 4 0 48 285.391 3 ↓

Analogs

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Popular Name: 1-[(2S,6S)-2,6-dimethylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one 1-[(2S,6S)-2,6-dimethylpiperazin…

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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) 2.09 7.22 -48.97 3 4 1 53 286.399 3 ↓
Mid Mid (pH 6-8) 2.09 5.9 -8.79 2 4 0 48 285.391 3 ↓

Analogs

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Popular Name: 1-[(2R,6R)-2,6-dimethylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one 1-[(2R,6R)-2,6-dimethylpiperazin…

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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) 2.09 7.26 -49.51 3 4 1 53 286.399 3 ↓
Mid Mid (pH 6-8) 2.09 5.91 -8.68 2 4 0 48 285.391 3 ↓

Analogs

19861849
19861849

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Popular Name: 2-Amino-1-(4-ethyl-piperazin-1-yl)-3-(1H-indol-3-yl)-propan-1-one 2-Amino-1-(4-ethyl-piperazin-1-y…

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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) 0.75 3.64 -44.22 4 5 1 67 301.414 4 ↓
Hi High (pH 8-9.5) 0.75 3.34 -7.86 3 5 0 65 300.406 4 ↓
Mid Mid (pH 6-8) 0.75 5.87 -103.57 5 5 2 68 302.422 4 ↓

Parameters Provided:

ring.id = 23652
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 = 23652 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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