UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4893457
4893457
4893459
4893459

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Popular Name: ethyl ethyl

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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) 0.75 7.26 -14.37 0 8 0 96 343.339 4 ↓
Ref Reference (pH 7) 0.75 7.58 -10.97 0 8 0 96 343.339 4 ↓
Ref Reference (pH 7) 0.75 7.26 -14.26 0 8 0 96 343.339 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.30 11.66 -12.22 0 7 0 79 446.29 5 ↓
Ref Reference (pH 7) 4.30 11.32 -10.02 0 7 0 79 446.29 5 ↓
Ref Reference (pH 7) 4.30 11.66 -15.02 0 7 0 79 446.29 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.30 9.89 -12.5 0 8 0 89 427.844 5 ↓
Ref Reference (pH 7) 3.30 9.95 -12.69 0 8 0 89 427.844 5 ↓
Ref Reference (pH 7) 3.30 9.5 -14.83 0 8 0 89 427.844 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.35 2.92 -16.99 1 8 0 97 303.274 4 ↓
Ref Reference (pH 7) 0.35 2.89 -10.95 1 8 0 97 303.274 4 ↓
Ref Reference (pH 7) 0.35 2.92 -16.26 1 8 0 97 303.274 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.54 5.73 -17.2 1 7 0 88 355.272 5 ↓
Ref Reference (pH 7) 1.54 5.53 -13.84 1 7 0 88 355.272 5 ↓
Ref Reference (pH 7) 1.54 5.69 -15.17 1 7 0 88 355.272 5 ↓

Analogs

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Popular Name: (3aR,6aS)-3-benzoyl-5-(3-chloro-2-methyl-phenyl)-1-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazo (3aR,6aS)-3-benzoyl-5-(3-chloro-…

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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) 4.54 14.71 -13.12 0 9 0 116 488.887 5 ↓

Analogs

9185136
9185136
9185138
9185138

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Popular Name: ethyl ethyl

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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) 3.67 10.71 -9.63 0 7 0 79 411.845 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.12 11.39 -9.5 0 7 0 79 425.872 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.41 10.43 -10.48 0 10 0 125 487.266 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.63 11.43 -12.47 0 10 0 125 456.842 6 ↓

Analogs

8854500
8854500

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Popular Name: ethyl ethyl

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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) 4.13 10.23 -6.95 0 7 0 79 476.714 5 ↓

Analogs

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Popular Name: 5-(tert-butyl) 3-ethyl 4,6-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylate 5-(tert-butyl) 3-ethyl 4,6-dioxo…

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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) 0.03 4.75 -18.05 1 9 0 114 311.294 5 ↓
Ref Reference (pH 7) 0.03 4.2 -13.46 1 9 0 114 311.294 5 ↓
Ref Reference (pH 7) 0.03 4.21 -13.51 1 9 0 114 311.294 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.45 4.56 -11.31 1 8 0 112 312.285 4 ↓

Analogs

4459281
4459281

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Popular Name: methyl methyl

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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) 1.24 5.06 -14.66 1 7 0 88 301.302 4 ↓
Ref Reference (pH 7) 1.24 5.04 -9.19 1 7 0 88 301.302 4 ↓
Ref Reference (pH 7) 1.24 5.06 -14.74 1 7 0 88 301.302 4 ↓

Analogs

4889221
4889221

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Popular Name: methyl methyl

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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) 1.40 4.7 -13.47 1 7 0 88 399.144 3 ↓
Ref Reference (pH 7) 1.40 4.36 -8.96 1 7 0 88 399.144 3 ↓
Ref Reference (pH 7) 1.40 4.71 -13.49 1 7 0 88 399.144 3 ↓

Analogs

4889220
4889220

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Popular Name: methyl methyl

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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) 1.40 -1.91 -8.3 1 7 0 88 399.144 3 ↓

Analogs

17837740
17837740

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Popular Name: methyl methyl

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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) 0.20 3.66 -18.81 1 9 0 114 345.311 5 ↓
Ref Reference (pH 7) 0.20 3.65 -19.17 1 9 0 114 345.311 5 ↓
Ref Reference (pH 7) 0.20 3.54 -22.76 1 9 0 114 345.311 5 ↓

Parameters Provided:

ring.id = 39934
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 = 39934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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