UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]propan-1-amine 3-[4-(4,6-dimethoxy-1,3,5-triazi…

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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) 0.79 0.95 -116.1 4 8 2 92 284.364 6 ↓
Hi High (pH 8-9.5) 0.79 -1.64 -7.46 2 8 0 90 282.348 6 ↓
Mid Mid (pH 6-8) 0.79 0.57 -42.58 3 8 1 91 283.356 6 ↓

Analogs

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Popular Name: 2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanamine 2-[4-(4,6-dimethoxy-1,3,5-triazi…

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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) 0.52 -2.03 -50.77 3 8 1 91 269.329 5 ↓
Lo Low (pH 4.5-6) 0.52 0.18 -126.7 4 8 2 92 270.337 5 ↓

Analogs

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Popular Name: 4-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]butan-1-amine 4-[4-(4,6-dimethoxy-1,3,5-triazi…

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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) 1.06 1.73 -107.35 4 8 2 92 298.391 7 ↓
Mid Mid (pH 6-8) 1.06 -0.48 -48.64 3 8 1 91 297.383 7 ↓

Analogs

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Popular Name: (2S)-3-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-2-methyl-propan-1-amine (2S)-3-[4-(4,6-dimethoxy-1,3,5-t…

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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) 1.27 1.67 -114.03 4 8 2 92 298.391 6 ↓
Mid Mid (pH 6-8) 1.27 -0.26 -49.73 3 8 1 91 297.383 6 ↓

Analogs

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Popular Name: (2R)-3-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-2-methyl-propan-1-amine (2R)-3-[4-(4,6-dimethoxy-1,3,5-t…

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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) 1.27 1.67 -114.05 4 8 2 92 298.391 6 ↓
Mid Mid (pH 6-8) 1.27 -0.26 -49.7 3 8 1 91 297.383 6 ↓

Analogs

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Popular Name: 2,4-dimethoxy-6-[(3R)-3-methylpiperazin-1-yl]-1,3,5-triazine 2,4-dimethoxy-6-[(3R)-3-methylpi…

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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) 1.80 0.61 -44.64 2 7 1 77 240.287 3 ↓
Hi High (pH 8-9.5) 1.80 -0.63 -7.2 1 7 0 72 239.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-6-[(3S)-3-methylpiperazin-1-yl]-1,3,5-triazine 2,4-dimethoxy-6-[(3S)-3-methylpi…

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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) 1.80 0.61 -44.63 2 7 1 77 240.287 3 ↓
Hi High (pH 8-9.5) 1.80 -0.63 -7.48 1 7 0 72 239.279 3 ↓

Analogs

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Popular Name: 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine 2-[(3S,5R)-3,5-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) 2.13 1.27 -41.42 2 7 1 77 254.314 3 ↓
Hi High (pH 8-9.5) 2.13 0.11 -6.99 1 7 0 72 253.306 3 ↓

Analogs

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Popular Name: 2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine 2-[(3S,5S)-3,5-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) 2.13 1.38 -43.68 2 7 1 77 254.314 3 ↓
Hi High (pH 8-9.5) 2.13 0.21 -7.26 1 7 0 72 253.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine 2-[(3R,5R)-3,5-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) 2.13 1.38 -43.7 2 7 1 77 254.314 3 ↓
Hi High (pH 8-9.5) 2.13 0.22 -7.25 1 7 0 72 253.306 3 ↓

Analogs

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Popular Name: 2,4-dimethoxy-6-[(2R)-2-methylpiperazin-1-yl]-1,3,5-triazine 2,4-dimethoxy-6-[(2R)-2-methylpi…

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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) 1.45 1.68 -47.94 2 7 1 77 240.287 3 ↓
Hi High (pH 8-9.5) 1.45 0.37 -7.04 1 7 0 72 239.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-6-[(2S)-2-methylpiperazin-1-yl]-1,3,5-triazine 2,4-dimethoxy-6-[(2S)-2-methylpi…

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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) 1.45 1.54 -47.85 2 7 1 77 240.287 3 ↓
Hi High (pH 8-9.5) 1.45 0.21 -7.34 1 7 0 72 239.279 3 ↓

Parameters Provided:

ring.id = 217032
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 = 217032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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