UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3S)-3-[(5-ethyl-2-methyl-1,2,4-…

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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) 0.61 5.38 -50.1 2 4 1 47 209.317 3 ↓

Analogs

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Popular Name: (3R)-3-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3R)-3-[(5-ethyl-2-methyl-1,2,4-…

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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) 0.61 5.15 -48.58 2 4 1 47 209.317 3 ↓

Analogs

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Popular Name: (3S)-3-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]piperidine (3S)-3-[(2-methyl-5-propyl-1,2,4…

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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) 1.11 6.15 -49.86 2 4 1 47 223.344 4 ↓

Analogs

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Popular Name: (3R)-3-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]piperidine (3R)-3-[(2-methyl-5-propyl-1,2,4…

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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) 1.11 5.91 -48.4 2 4 1 47 223.344 4 ↓

Analogs

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Popular Name: (3S)-3-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3S)-3-[(5-isopropyl-2-methyl-1,…

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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) 1.09 5.83 -49.81 2 4 1 47 223.344 3 ↓

Analogs

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Popular Name: (3R)-3-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3R)-3-[(5-isopropyl-2-methyl-1,…

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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) 1.09 5.59 -48.36 2 4 1 47 223.344 3 ↓

Analogs

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Popular Name: (3S)-3-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3S)-3-[(5-tert-butyl-2-methyl-1…

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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) 1.76 6.38 -49.38 2 4 1 47 237.371 3 ↓

Analogs

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Popular Name: (3R)-3-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3R)-3-[(5-tert-butyl-2-methyl-1…

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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) 1.76 6.15 -48.04 2 4 1 47 237.371 3 ↓

Analogs

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Popular Name: (3S)-3-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3S)-3-[(5-isobutyl-2-methyl-1,2…

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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) 1.36 6.63 -49.15 2 4 1 47 237.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (3R)-3-[(5-isobutyl-2-methyl-1,2…

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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) 1.36 6.43 -47.97 2 4 1 47 237.371 4 ↓

Parameters Provided:

ring.id = 143351
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 = 143351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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