UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-1-(6-chloropyrimidin-4-yl)-2-methyl-indoline (2R)-1-(6-chloropyrimidin-4-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) 3.28 9.29 -6.59 0 3 0 29 245.713 1 ↓

Analogs

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Popular Name: (2S)-1-(6-chloropyrimidin-4-yl)-2-methyl-indoline (2S)-1-(6-chloropyrimidin-4-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) 3.28 9.3 -6.58 0 3 0 29 245.713 1 ↓

Analogs

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Popular Name: (2S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-2-methyl-indoline (2S)-1-(2-chloro-6-methyl-pyrimi…

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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) 3.70 9.28 -9.24 0 3 0 29 259.74 1 ↓

Analogs

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Popular Name: (2R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-2-methyl-indoline (2R)-1-(2-chloro-6-methyl-pyrimi…

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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) 3.70 9.27 -9.26 0 3 0 29 259.74 1 ↓

Analogs

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Popular Name: 1-(2-chloro-6-methyl-pyrimidin-4-yl)indoline 1-(2-chloro-6-methyl-pyrimidin-4…

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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) 3.37 8.27 -7.81 0 3 0 29 245.713 1 ↓

Analogs

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Popular Name: (2S)-1-(6-chloro-2-methyl-pyrimidin-4-yl)-2-methyl-indoline (2S)-1-(6-chloro-2-methyl-pyrimi…

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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) 3.37 9.23 -6.91 0 3 0 29 259.74 1 ↓

Analogs

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Popular Name: (2R)-1-(6-chloro-2-methyl-pyrimidin-4-yl)-2-methyl-indoline (2R)-1-(6-chloro-2-methyl-pyrimi…

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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) 3.37 9.23 -6.91 0 3 0 29 259.74 1 ↓

Analogs

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Popular Name: 1-(6-chloro-2-methyl-pyrimidin-4-yl)indoline 1-(6-chloro-2-methyl-pyrimidin-4…

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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) 3.04 8.22 -5.92 0 3 0 29 245.713 1 ↓

Analogs

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Popular Name: 4-(5-bromoindolin-1-yl)-6-chloro-pyrimidin-2-amine 4-(5-bromoindolin-1-yl)-6-chloro…

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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) 3.54 8.26 -5.56 2 4 0 55 325.597 1 ↓

Analogs

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Popular Name: 4-(5-bromoindolin-1-yl)-6-methyl-pyrimidin-2-amine 4-(5-bromoindolin-1-yl)-6-methyl…

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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) 2.96 8.45 -7.06 2 4 0 55 305.179 1 ↓
Mid Mid (pH 6-8) 2.96 8.94 -28.42 3 4 1 56 306.187 1 ↓
Mid Mid (pH 6-8) 2.96 8.9 -32.8 3 4 1 56 306.187 1 ↓

Parameters Provided:

ring.id = 21760
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 = 21760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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