UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-4-allyl-3-cyclohexyl-3H-1,2,4-triazol-5-one (3S)-4-allyl-3-cyclohexyl-3H-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) 1.74 5.94 -8.78 1 4 0 51 207.277 3 ↓

Analogs

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Popular Name: 3-(1-amino-4-ethyl-cyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(1-amino-4-ethyl-cyclohexyl)-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) 0.95 0.51 -56.67 5 5 1 89 211.289 2 ↓
Hi High (pH 8-9.5) 0.95 0.56 -6.79 4 5 0 88 210.281 2 ↓

Analogs

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Popular Name: 3-(1-aminocyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(1-aminocyclohexyl)-1,4-dihydr…

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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) 0.50 -0.27 -50.94 5 5 1 89 183.235 1 ↓
Hi High (pH 8-9.5) 0.50 -0.43 -6.88 4 5 0 88 182.227 1 ↓

Analogs

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Popular Name: 3-(1-amino-4-methyl-cyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(1-amino-4-methyl-cyclohexyl)-…

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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) 0.27 0.13 -52.07 5 5 1 89 197.262 1 ↓
Hi High (pH 8-9.5) 0.27 -0.06 -6.78 4 5 0 88 196.254 1 ↓

Analogs

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Popular Name: 3-[(1R,3R)-1-amino-3-methyl-cyclohexyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1R,3R)-1-amino-3-methyl-cycl…

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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) 0.50 0.35 -51.97 5 5 1 89 197.262 1 ↓
Hi High (pH 8-9.5) 0.50 0.09 -7.66 4 5 0 88 196.254 1 ↓

Analogs

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Popular Name: 3-[(1R,3S)-1-amino-3-methyl-cyclohexyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1R,3S)-1-amino-3-methyl-cycl…

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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) 0.50 0.36 -50.32 5 5 1 89 197.262 1 ↓
Hi High (pH 8-9.5) 0.50 0.52 -7.29 4 5 0 88 196.254 1 ↓

Analogs

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Popular Name: 3-[(1S,3R)-1-amino-3-methyl-cyclohexyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S,3R)-1-amino-3-methyl-cycl…

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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) 0.50 0.27 -50.21 5 5 1 89 197.262 1 ↓
Hi High (pH 8-9.5) 0.50 0.52 -7.09 4 5 0 88 196.254 1 ↓

Analogs

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Popular Name: 3-[(1S,3S)-1-amino-3-methyl-cyclohexyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S,3S)-1-amino-3-methyl-cycl…

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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) 0.50 0.34 -51.81 5 5 1 89 197.262 1 ↓
Hi High (pH 8-9.5) 0.50 0.17 -6.86 4 5 0 88 196.254 1 ↓

Analogs

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Popular Name: 3-(4-aminocyclohexyl)-1,4-dihydro-1,2,4-triazol-5-one 3-(4-aminocyclohexyl)-1,4-dihydr…

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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) -1.08 -0.24 -54.42 5 5 1 89 183.235 1 ↓

Analogs

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Popular Name: (1S,2R)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2R)-2-(5-oxo-1,4-dihydro-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) 0.14 2.99 -49.57 2 6 -1 102 210.213 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2R)-2-(5-oxo-1,4-dihydro-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) 0.14 2.81 -47.52 2 6 -1 102 210.213 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2S)-2-(5-oxo-1,4-dihydro-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) 0.14 2.57 -48.26 2 6 -1 102 210.213 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2S)-2-(5-oxo-1,4-dihydro-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) 0.14 2.67 -48.51 2 6 -1 102 210.213 2 ↓

Parameters Provided:

ring.id = 403657
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 = 403657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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