UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(2-naphthyl)imidazole-1,5-diamine 4-(2-naphthyl)imidazole-1,5-diamine

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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) 1.84 6.66 -10.39 4 4 0 70 224.267 1 ↓
Mid Mid (pH 6-8) 1.84 7.08 -34.21 5 4 1 71 225.275 1 ↓

Analogs

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Popular Name: 4-(6-methoxy-2-naphthyl)imidazole-1,5-diamine 4-(6-methoxy-2-naphthyl)imidazol…

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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 5.95 -10.76 4 5 0 79 254.293 2 ↓
Mid Mid (pH 6-8) 1.88 6.38 -36.82 5 5 1 80 255.301 2 ↓

Analogs

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Popular Name: 2-methyl-4-(2-naphthyl)imidazole-1,5-diamine 2-methyl-4-(2-naphthyl)imidazole…

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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) 1.93 6.93 -29.15 5 4 1 71 239.302 1 ↓
Mid Mid (pH 6-8) 1.93 6.53 -10.55 4 4 0 70 238.294 1 ↓

Analogs

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Popular Name: 4-(6-methoxy-2-naphthyl)-2-methyl-imidazole-1,5-diamine 4-(6-methoxy-2-naphthyl)-2-methy…

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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) 1.96 6.22 -31.66 5 5 1 80 269.328 2 ↓
Mid Mid (pH 6-8) 1.96 5.83 -10.9 4 5 0 79 268.32 2 ↓

Analogs

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Popular Name: 2-ethyl-4-(2-naphthyl)imidazole-1,5-diamine 2-ethyl-4-(2-naphthyl)imidazole-…

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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) 2.50 7.54 -28.22 5 4 1 71 253.329 2 ↓
Mid Mid (pH 6-8) 2.50 7.14 -10.34 4 4 0 70 252.321 2 ↓

Analogs

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Popular Name: 2-ethyl-4-(6-methoxy-2-naphthyl)imidazole-1,5-diamine 2-ethyl-4-(6-methoxy-2-naphthyl)…

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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) 2.54 6.83 -30.71 5 5 1 80 283.355 3 ↓
Mid Mid (pH 6-8) 2.54 6.44 -10.7 4 5 0 79 282.347 3 ↓

Analogs

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Popular Name: 4-(2-naphthyl)-2-propyl-imidazole-1,5-diamine 4-(2-naphthyl)-2-propyl-imidazol…

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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) 3.00 8.32 -28.47 5 4 1 71 267.356 3 ↓
Mid Mid (pH 6-8) 3.00 7.92 -10.2 4 4 0 70 266.348 3 ↓

Analogs

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Popular Name: 2-tert-butyl-4-(2-naphthyl)imidazole-1,5-diamine 2-tert-butyl-4-(2-naphthyl)imida…

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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) 3.65 8.62 -26.57 5 4 1 71 281.383 2 ↓
Mid Mid (pH 6-8) 3.65 8.22 -10.22 4 4 0 70 280.375 2 ↓

Analogs

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Popular Name: 2-isopropyl-4-(2-naphthyl)imidazole-1,5-diamine 2-isopropyl-4-(2-naphthyl)imidaz…

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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) 2.99 8.13 -27.01 5 4 1 71 267.356 2 ↓
Mid Mid (pH 6-8) 2.99 7.61 -10.06 4 4 0 70 266.348 2 ↓

Analogs

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Popular Name: DNC005744 DNC005744

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 207 0.62 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 296 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 207 0.62 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 296 0.61 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 207 0.62 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 296 0.61 Binding ≤ 10μM

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) 2.78 7.98 -10.69 1 2 0 29 194.237 1 ↓
Mid Mid (pH 6-8) 2.78 8.38 -39.48 2 2 1 30 195.245 1 ↓
Mid Mid (pH 6-8) 2.78 8.44 -38.28 2 2 1 30 195.245 1 ↓

Parameters Provided:

ring.id = 26849
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 = 26849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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