UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 4.95 12.95 -16.26 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.13 12.55 -20.63 0 9 0 120 492.528 8 ↓

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) 4.95 13.11 -21.23 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.13 12.58 -16.57 0 9 0 120 492.528 8 ↓

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) 4.95 13.1 -21.61 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.13 11.68 -15.23 0 9 0 120 492.528 8 ↓

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) 4.95 12.99 -19.53 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.13 11.69 -20.74 0 9 0 120 492.528 8 ↓

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) 5.44 12.91 -14.98 0 6 0 74 461.558 7 ↓
Mid Mid (pH 6-8) 5.62 12.16 -15.71 0 6 0 74 461.558 7 ↓

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) 5.44 13.07 -15.94 0 6 0 74 461.558 7 ↓
Mid Mid (pH 6-8) 5.62 12.36 -19.35 0 6 0 74 461.558 7 ↓

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) 5.44 13.06 -16.25 0 6 0 74 461.558 7 ↓
Mid Mid (pH 6-8) 5.62 11.64 -12.13 0 6 0 74 461.558 7 ↓

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) 5.44 12.95 -14.56 0 6 0 74 461.558 7 ↓
Mid Mid (pH 6-8) 5.62 11.64 -16.68 0 6 0 74 461.558 7 ↓

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) 4.97 12.94 -18.47 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.16 12.2 -18.27 0 9 0 120 492.528 8 ↓

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) 4.97 13.12 -17.34 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.16 12.58 -15.09 0 9 0 120 492.528 8 ↓

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) 4.97 13.11 -17.59 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.16 11.89 -15.93 0 9 0 120 492.528 8 ↓

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) 4.97 12.99 -15.82 0 9 0 120 492.528 8 ↓
Mid Mid (pH 6-8) 5.16 11.88 -21.12 0 9 0 120 492.528 8 ↓

Analogs

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Popular Name: (4R)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-5-one (4R)-2-ethyl-7,7-dimethyl-4-(3-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) 6.35 13.11 -49.56 1 3 1 40 374.504 4 ↓
Mid Mid (pH 6-8) 6.28 12.86 -10.7 0 3 0 39 373.496 3 ↓

Analogs

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Popular Name: (4S)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-5-one (4S)-2-ethyl-7,7-dimethyl-4-(3-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) 6.35 13.44 -44.58 1 3 1 40 374.504 4 ↓
Hi High (pH 8-9.5) 6.33 13.13 -13.02 1 3 0 38 373.496 3 ↓

Analogs

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Popular Name: sec-butyl sec-butyl

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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) 5.38 11.04 -18.53 1 7 0 94 491.584 8 ↓
Mid Mid (pH 6-8) 5.38 10.06 -16.81 1 7 0 94 491.584 8 ↓
Mid Mid (pH 6-8) 5.56 9.08 -15.09 1 7 0 94 491.584 8 ↓

Analogs

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Popular Name: sec-butyl sec-butyl

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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) 5.38 11.04 -18.52 1 7 0 94 491.584 8 ↓
Mid Mid (pH 6-8) 5.38 10.09 -17.44 1 7 0 94 491.584 8 ↓
Mid Mid (pH 6-8) 5.56 9.15 -14.74 1 7 0 94 491.584 8 ↓

Parameters Provided:

ring.id = 18747
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 = 18747 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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