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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 6-chloro-N4-[(1S)-5-fluoroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1S)-5-fluoroindan-…

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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) 2.80 6.92 -7.3 3 4 0 64 278.718 2 ↓

Analogs

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Popular Name: 6-chloro-N4-[(1R)-5-fluoroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1R)-5-fluoroindan-…

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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) 2.80 6.84 -7.1 3 4 0 64 278.718 2 ↓

Analogs

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Popular Name: N4-[(1R)-4-fluoroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1R)-4-fluoroindan-1-yl]-6-m…

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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) 2.20 7.62 -32.82 4 4 1 65 259.308 2 ↓
Mid Mid (pH 6-8) 2.20 7.17 -8.14 3 4 0 64 258.3 2 ↓

Analogs

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Popular Name: N4-[(1S)-4-fluoroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1S)-4-fluoroindan-1-yl]-6-m…

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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) 2.20 7.55 -31.5 4 4 1 65 259.308 2 ↓
Mid Mid (pH 6-8) 2.20 7.1 -7.29 3 4 0 64 258.3 2 ↓

Analogs

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Popular Name: N-[(1R)-4-chloroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1R)-4-chloroindan-1-yl]-2,6-…

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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) 3.00 8.17 -7.04 1 3 0 38 273.767 2 ↓
Mid Mid (pH 6-8) 3.00 8.57 -31.53 2 3 1 39 274.775 2 ↓

Analogs

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Popular Name: N-[(1S)-4-chloroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1S)-4-chloroindan-1-yl]-2,6-…

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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) 3.00 8.12 -6.31 1 3 0 38 273.767 2 ↓
Mid Mid (pH 6-8) 3.00 8.52 -30.45 2 3 1 39 274.775 2 ↓

Analogs

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Popular Name: N-[(1R)-5-chloroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1R)-5-chloroindan-1-yl]-2,6-…

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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) 3.02 8.19 -7.09 1 3 0 38 273.767 2 ↓
Mid Mid (pH 6-8) 3.02 8.59 -31.09 2 3 1 39 274.775 2 ↓

Analogs

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Popular Name: N-[(1S)-5-chloroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1S)-5-chloroindan-1-yl]-2,6-…

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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) 3.02 8.14 -6.71 1 3 0 38 273.767 2 ↓
Mid Mid (pH 6-8) 3.02 8.55 -30.19 2 3 1 39 274.775 2 ↓

Analogs

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Popular Name: 6-chloro-N4-[(1S)-5-chloroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1S)-5-chloroindan-…

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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) 3.32 7.37 -6.63 3 4 0 64 295.173 2 ↓

Analogs

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Popular Name: 6-chloro-N4-[(1R)-5-chloroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1R)-5-chloroindan-…

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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) 3.32 7.29 -6.51 3 4 0 64 295.173 2 ↓

Analogs

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Popular Name: N4-[(1R)-5-chloroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1R)-5-chloroindan-1-yl]-6-m…

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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) 2.74 8.05 -31.17 4 4 1 65 275.763 2 ↓
Mid Mid (pH 6-8) 2.74 7.6 -7.47 3 4 0 64 274.755 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(1S)-5-chloroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1S)-5-chloroindan-1-yl]-6-m…

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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) 2.74 8 -30.2 4 4 1 65 275.763 2 ↓
Mid Mid (pH 6-8) 2.74 7.55 -7.17 3 4 0 64 274.755 2 ↓

Analogs

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Popular Name: 6-chloro-N4-[(1S)-4-chloroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1S)-4-chloroindan-…

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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) 3.29 7.35 -6.36 3 4 0 64 295.173 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N4-[(1R)-4-chloroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1R)-4-chloroindan-…

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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) 3.29 7.27 -5.97 3 4 0 64 295.173 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(1R)-4-chloroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1R)-4-chloroindan-1-yl]-6-m…

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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) 2.71 8.02 -31.62 4 4 1 65 275.763 2 ↓
Mid Mid (pH 6-8) 2.71 7.58 -7.41 3 4 0 64 274.755 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(1S)-4-chloroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1S)-4-chloroindan-1-yl]-6-m…

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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) 2.71 7.98 -30.45 4 4 1 65 275.763 2 ↓
Mid Mid (pH 6-8) 2.71 7.53 -6.75 3 4 0 64 274.755 2 ↓

Analogs

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Popular Name: N-[(1R)-4-fluoroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1R)-4-fluoroindan-1-yl]-2,6-…

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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) 2.48 7.76 -7.7 1 3 0 38 257.312 2 ↓
Mid Mid (pH 6-8) 2.48 8.16 -32.79 2 3 1 39 258.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-fluoroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1S)-4-fluoroindan-1-yl]-2,6-…

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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) 2.48 7.69 -6.85 1 3 0 38 257.312 2 ↓
Mid Mid (pH 6-8) 2.48 8.09 -31.41 2 3 1 39 258.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N4-[(1S)-4-fluoroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1S)-4-fluoroindan-…

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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) 2.78 6.92 -6.95 3 4 0 64 278.718 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N4-[(1R)-4-fluoroindan-1-yl]pyrimidine-2,4-diamine 6-chloro-N4-[(1R)-4-fluoroindan-…

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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) 2.78 6.84 -6.47 3 4 0 64 278.718 2 ↓

Analogs

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Popular Name: N-[(1R)-5-fluoroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1R)-5-fluoroindan-1-yl]-2,6-…

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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) 2.51 7.75 -7.77 1 3 0 38 257.312 2 ↓
Mid Mid (pH 6-8) 2.51 8.15 -31.96 2 3 1 39 258.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-5-fluoroindan-1-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(1S)-5-fluoroindan-1-yl]-2,6-…

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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) 2.51 7.7 -7.3 1 3 0 38 257.312 2 ↓
Mid Mid (pH 6-8) 2.51 8.1 -31 2 3 1 39 258.32 2 ↓

Analogs

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Popular Name: N4-[(1R)-5-fluoroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1R)-5-fluoroindan-1-yl]-6-m…

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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) 2.22 7.61 -32.1 4 4 1 65 259.308 2 ↓
Mid Mid (pH 6-8) 2.22 7.16 -8.15 3 4 0 64 258.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(1S)-5-fluoroindan-1-yl]-6-methyl-pyrimidine-2,4-diamine N4-[(1S)-5-fluoroindan-1-yl]-6-m…

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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) 2.22 7.56 -31.12 4 4 1 65 259.308 2 ↓
Mid Mid (pH 6-8) 2.22 7.11 -7.75 3 4 0 64 258.3 2 ↓

Parameters Provided:

ring.id = 254331
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 = 254331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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