UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol (2S)-1-phenyl-3-(1,2,4-triazol-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) 0.62 6.71 -15.45 1 4 0 51 203.245 4 ↓

Analogs

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Popular Name: (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol (2R)-1-phenyl-3-(1,2,4-triazol-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) 0.62 6.71 -15.45 1 4 0 51 203.245 4 ↓

Analogs

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Popular Name: 4-(3-phenylpropyl)-5-propyl-1,2,4-triazole-3-thiol 4-(3-phenylpropyl)-5-propyl-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) 3.66 10.9 -47.8 0 3 -1 31 260.386 6 ↓
Mid Mid (pH 6-8) 2.93 11 -13.39 1 3 0 34 261.394 6 ↓

Analogs

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Popular Name: 2-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-(3-phenylpropyl)-1,2,4-tri…

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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) 1.95 11.02 -49.67 0 5 -1 71 276.341 7 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-(3-phenylpropyl)-…

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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) 2.03 10.83 -50.36 0 5 -1 71 290.368 7 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-(3-phenylpropyl)-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) 2.61 11.44 -49.89 0 5 -1 71 304.395 8 ↓

Parameters Provided:

ring.id = 417019
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 = 417019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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