UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-6-methyl-N-[[(3S)-1-methyl-3-piperidyl]methyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[[(3S)-1-met…

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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) 2.23 6.65 -44.19 2 4 1 42 255.773 3 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[[(3R)-1-methyl-3-piperidyl]methyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[[(3R)-1-met…

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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) 2.23 6.64 -44.16 2 4 1 42 255.773 3 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[[(3S)-1-methyl-3-piperidyl]methyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[[(3S)-1-met…

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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) 1.90 6.62 -41.6 2 4 1 42 255.773 3 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[[(3R)-1-methyl-3-piperidyl]methyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[[(3R)-1-met…

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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) 1.90 6.62 -41.65 2 4 1 42 255.773 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-methyl-3-piperidyl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3S)-1-methyl-3-pip…

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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) 0.88 6.2 -41.67 2 4 1 42 221.328 3 ↓
Mid Mid (pH 6-8) 0.88 6.64 -80.61 3 4 2 43 222.336 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-1-methyl-3-piperidyl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3R)-1-methyl-3-pip…

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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) 0.88 6.2 -41.65 2 4 1 42 221.328 3 ↓
Mid Mid (pH 6-8) 0.88 6.64 -80.62 3 4 2 43 222.336 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-3-piperidyl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3R)-3-piperidyl]me…

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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 3.97 -46.45 3 4 1 54 207.301 3 ↓
Mid Mid (pH 6-8) 0.29 4.41 -84.95 4 4 2 56 208.309 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-3-piperidyl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3S)-3-piperidyl]me…

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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 3.97 -46.49 3 4 1 54 207.301 3 ↓
Mid Mid (pH 6-8) 0.29 4.41 -84.96 4 4 2 56 208.309 3 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-[(3R)-3-piperidyl]ethyl]pyrimidin-4-amine 2-methyl-N-[(1S)-1-[(3R)-3-piper…

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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) 0.62 4.36 -46.84 3 4 1 54 221.328 3 ↓
Mid Mid (pH 6-8) 0.62 4.8 -84.96 4 4 2 56 222.336 3 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R)-1-[(3R)-3-piperidyl]ethyl]pyrimidin-4-amine 2-methyl-N-[(1R)-1-[(3R)-3-piper…

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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) 0.62 4.55 -46.99 3 4 1 54 221.328 3 ↓
Mid Mid (pH 6-8) 0.62 4.99 -84.42 4 4 2 56 222.336 3 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-[(3S)-3-piperidyl]ethyl]pyrimidin-4-amine 2-methyl-N-[(1S)-1-[(3S)-3-piper…

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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) 0.62 4.55 -46.94 3 4 1 54 221.328 3 ↓
Mid Mid (pH 6-8) 0.62 4.99 -84.41 4 4 2 56 222.336 3 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R)-1-[(3S)-3-piperidyl]ethyl]pyrimidin-4-amine 2-methyl-N-[(1R)-1-[(3S)-3-piper…

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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) 0.62 4.36 -46.75 3 4 1 54 221.328 3 ↓
Mid Mid (pH 6-8) 0.62 4.79 -85.08 4 4 2 56 222.336 3 ↓

Analogs

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Popular Name: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenyl-4-imidazolidinone 1-[4,6-bis(dimethylamino)-1,3,5-…

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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) 1.77 5.27 -37.22 2 6 1 76 327.474 6 ↓
Mid Mid (pH 6-8) 1.77 4.76 -13.62 1 6 0 75 326.466 6 ↓

Analogs

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Popular Name: 2-isopropyl-5-methylcyclohexyl [(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetate 2-isopropyl-5-methylcyclohexyl […

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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) 1.77 5.3 -37.4 2 6 1 76 327.474 6 ↓
Mid Mid (pH 6-8) 1.77 4.79 -15 1 6 0 75 326.466 6 ↓

Analogs

38579959
38579959

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Popular Name: tert-butyl tert-butyl

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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) 2.26 5.9 -8.32 3 7 0 93 341.843 5 ↓

Analogs

38579958
38579958

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Popular Name: tert-butyl tert-butyl

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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) 2.26 5.93 -8.36 3 7 0 93 341.843 5 ↓

Analogs

38579961
38579961

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Popular Name: 6-chloro-N4-[[(3R)-1-methyl-3-piperidyl]methyl]pyrimidine-4,5-diamine 6-chloro-N4-[[(3R)-1-methyl-3-pi…

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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) 1.23 5.07 -41.14 4 5 1 68 256.761 3 ↓

Analogs

38579960
38579960

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Popular Name: 6-chloro-N4-[[(3S)-1-methyl-3-piperidyl]methyl]pyrimidine-4,5-diamine 6-chloro-N4-[[(3S)-1-methyl-3-pi…

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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) 1.23 5.07 -41.11 4 5 1 68 256.761 3 ↓

Parameters Provided:

ring.id = 23454
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 = 23454 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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