UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]indoline (2R)-2-methyl-1-[[(3R)-3-methylp…

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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) 2.89 7.56 -41.39 2 2 1 20 231.363 2 ↓
Lo Low (pH 4.5-6) 2.89 6.74 -95.58 3 2 2 21 232.371 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]indoline (2S)-2-methyl-1-[[(3R)-3-methylp…

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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) 2.89 7.47 -42.31 2 2 1 20 231.363 2 ↓
Lo Low (pH 4.5-6) 2.89 7.59 -95.99 3 2 2 21 232.371 2 ↓

Analogs

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Popular Name: (2S)-1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-indoline (2S)-1-[[(3S)-3-ethylpyrrolidin-…

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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 7.71 -41.47 2 2 1 20 245.39 3 ↓
Lo Low (pH 4.5-6) 3.23 7.98 -94.67 3 2 2 21 246.398 3 ↓

Analogs

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Popular Name: (2S)-1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-indoline (2S)-1-[[(3R)-3-ethylpyrrolidin-…

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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 7.82 -43.02 2 2 1 20 245.39 3 ↓
Lo Low (pH 4.5-6) 3.23 7.79 -98.82 3 2 2 21 246.398 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[[(3S)-3-propylpyrrolidin-3-yl]methyl]indoline (2S)-2-methyl-1-[[(3S)-3-propylp…

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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) 3.79 8.44 -42.03 2 2 1 20 259.417 4 ↓
Lo Low (pH 4.5-6) 3.79 8.73 -96.61 3 2 2 21 260.425 4 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[[(3R)-3-propylpyrrolidin-3-yl]methyl]indoline (2S)-2-methyl-1-[[(3R)-3-propylp…

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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) 3.79 8.55 -44.01 2 2 1 20 259.417 4 ↓
Lo Low (pH 4.5-6) 3.79 8.54 -100.71 3 2 2 21 260.425 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-methylpyrrolidin-3-yl]methyl]indoline 1-[[(3S)-3-methylpyrrolidin-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) 2.56 6.74 -41.6 2 2 1 20 217.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]indoline 1-[[(3R)-3-methylpyrrolidin-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) 2.56 6.85 -41.26 2 2 1 20 217.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]indoline 1-[[(3S)-3-ethylpyrrolidin-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) 2.90 7.25 -37.92 2 2 1 20 231.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]indoline 1-[[(3R)-3-ethylpyrrolidin-3-yl]…

Find On: PubMed — Wikipedia — Google

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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) 2.90 7.22 -41.63 2 2 1 20 231.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-propylpyrrolidin-3-yl]methyl]indoline 1-[[(3S)-3-propylpyrrolidin-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) 3.46 8.01 -38.57 2 2 1 20 245.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-propylpyrrolidin-3-yl]methyl]indoline 1-[[(3R)-3-propylpyrrolidin-3-yl…

Find On: PubMed — Wikipedia — Google

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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) 3.46 7.96 -42.47 2 2 1 20 245.39 4 ↓

Parameters Provided:

ring.id = 306472
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 = 306472 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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