UCSF
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Analogs

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Popular Name: (4Z)-4-[(4-bromophenyl)hydrazono]-5-(trifluoromethyl)-2H-pyrazol-3-one (4Z)-4-[(4-bromophenyl)hydrazono…

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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) 3.56 1.82 -36.56 1 5 -1 73 334.075 3 ↓
Lo Low (pH 4.5-6) 3.10 3.45 -4.24 2 5 0 70 335.083 3 ↓

Analogs

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Popular Name: (4Z)-4-[(3-fluorophenyl)hydrazono]-5-methyl-2H-pyrazol-3-one (4Z)-4-[(3-fluorophenyl)hydrazon…

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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) 1.98 0.88 -47.33 1 5 -1 73 219.199 2 ↓
Mid Mid (pH 6-8) 1.52 2.51 -7.89 2 5 0 70 220.207 2 ↓

Analogs

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Popular Name: 2-[(N'Z)-N'-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hydrazino]benzoic 2-[(N'Z)-N'-(3-methyl-5-oxo-1H-p…

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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) 1.88 1.5 -129.67 1 7 -2 113 244.21 3 ↓
Mid Mid (pH 6-8) 1.42 3.13 -60.23 2 7 -1 110 245.218 3 ↓

Analogs

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Popular Name: (4Z)-4-[(2,5-dichlorophenyl)hydrazono]-5-(trifluoromethyl)-2H-pyrazol-3-one (4Z)-4-[(2,5-dichlorophenyl)hydr…

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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) 4.03 2.26 -38.76 1 5 -1 73 324.069 3 ↓
Lo Low (pH 4.5-6) 3.58 3.89 -4.72 2 5 0 70 325.077 3 ↓
Lo Low (pH 4.5-6) 3.58 3.91 -5.85 2 5 0 70 325.077 3 ↓

Analogs

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Popular Name: 4-(3-Nitro-phenylazo)-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one 4-(3-Nitro-phenylazo)-5-trifluor…

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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) 2.68 1.9 -39.88 1 8 -1 119 300.176 4 ↓
Mid Mid (pH 6-8) 3.41 1.35 -115.33 0 8 -2 121 299.168 4 ↓
Mid Mid (pH 6-8) 3.41 0.48 -102.62 0 8 -2 121 299.168 4 ↓

Parameters Provided:

ring.id = 136170
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 = 136170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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