UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(cyclopropylmethyl)-4-[(3…

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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) -0.13 2.64 -13.67 1 5 0 61 252.314 3 ↓

Analogs

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Popular Name: (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(cyclopropylmethyl)-4-[(3…

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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) -0.13 2.61 -14.24 1 5 0 61 252.314 3 ↓

Analogs

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Popular Name: (4R)-1-(cyclopropylmethyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one (4R)-1-(cyclopropylmethyl)-4-[(3…

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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) -0.13 2.59 -13.26 1 5 0 61 252.314 3 ↓

Analogs

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Popular Name: (4S)-1-(cyclopropylmethyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one (4S)-1-(cyclopropylmethyl)-4-[(3…

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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) -0.13 2.59 -13.36 1 5 0 61 252.314 3 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-1-(cyclopropylmethy…

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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) 0.38 6.95 -52.18 0 6 -1 81 293.343 4 ↓

Analogs

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Popular Name: (3R)-1-[(3R)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-1-(cyclopropylmethy…

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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) 0.38 6.99 -56.35 0 6 -1 81 293.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3S)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(3S)-1-(cyclopropylmethy…

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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) 0.38 6.91 -54.17 0 6 -1 81 293.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3S)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3S)-1-(cyclopropylmethy…

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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) 0.38 7.02 -54.61 0 6 -1 81 293.343 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(3R)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(3R)-1-(cyclopropylme…

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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) 0.29 7.23 -53.75 0 6 -1 81 293.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(3R)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(3R)-1-(cyclopropylme…

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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) 0.29 7.28 -54.73 0 6 -1 81 293.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(3S)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(3S)-1-(cyclopropylme…

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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) 0.29 7.3 -56.04 0 6 -1 81 293.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(3S)-1-(cyclopropylmethyl)-5-oxo-pyrrolidine-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(3S)-1-(cyclopropylme…

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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) 0.29 7.27 -54.82 0 6 -1 81 293.343 5 ↓

Parameters Provided:

ring.id = 8835
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 = 8835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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