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) 1.93 6.42 -12.24 2 7 0 85 352.46 7 ↓
Mid Mid (pH 6-8) 2.10 6.88 -34.64 3 7 1 90 353.468 8 ↓
Mid Mid (pH 6-8) 2.10 6.94 -34.82 3 7 1 90 353.468 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) 1.93 6.42 -12.43 2 7 0 85 352.46 7 ↓
Mid Mid (pH 6-8) 2.10 6.95 -34.53 3 7 1 90 353.468 7 ↓
Mid Mid (pH 6-8) 2.10 6.88 -34.3 3 7 1 90 353.468 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) 3.11 6.26 -41.86 3 5 1 72 256.285 3 ↓

Analogs

11990403
11990403

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Popular Name: tert-butyl tert-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) 3.73 2.76 -27.51 1 9 0 131 435.436 7 ↓

Analogs

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Popular Name: tert-butyl tert-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) 4.33 2.69 -28.75 1 9 0 131 469.881 7 ↓

Analogs

11990405
11990405

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Popular Name: tert-butyl tert-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) 3.61 3.28 -26.08 1 12 0 177 480.433 8 ↓

Analogs

11990400
11990400

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Popular Name: isopropyl isopropyl

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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) 3.28 2.59 -28.55 1 9 0 131 421.409 7 ↓

Analogs

9833178
9833178

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Popular Name: isopropyl isopropyl

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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) 3.89 2.44 -24.88 1 9 0 131 455.854 7 ↓

Analogs

11990402
11990402

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Popular Name: isopropyl isopropyl

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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) 3.17 3.08 -27.34 1 12 0 177 466.406 8 ↓

Analogs

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Popular Name: 34217-90-8; C05793; L-Stercobilin; L-Urobilin; Stercobilin 34217-90-8; C05793; L-Stercobili…

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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) 4.96 13.69 -121.45 3 10 -2 167 592.737 13 ↓

Analogs

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Popular Name: stercobilin stercobilin

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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) 4.96 13.6 -125.92 3 10 -2 167 592.737 13 ↓

Analogs

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Popular Name: 1856-98-0; C05794; I-Urobilin; Urobilin 1856-98-0; C05794; I-Urobilin; U…

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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) 4.73 13.74 -127.59 3 10 -2 167 588.705 13 ↓

Analogs

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Popular Name: 3-[(2E)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-meth 3-[(2E)-2-[[3-(2-carboxyethyl)-5…

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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) 4.73 14.12 -128.38 3 10 -2 167 588.705 13 ↓

Analogs

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Popular Name: C05795; D-Urobilin C05795; D-Urobilin

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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) 4.50 14.25 -105.12 3 10 -2 167 586.689 13 ↓

Analogs

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Popular Name: 15,16-dihydrobiliverdin 15,16-dihydrobiliverdin

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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 14.81 -123.39 3 10 -2 171 582.657 12 ↓

Analogs

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Popular Name: (2E)-5-tert-butyl-2-[5-tert-butyl-3-(4-tert-butylanilino)indol-2-ylidene]-N-(4-tert-butylphenyl)indo (2E)-5-tert-butyl-2-[5-tert-buty…

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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) 10.08 22.33 -76.17 4 4 2 52 638.944 8 ↓

Analogs

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Popular Name: (2E)-N-(1-naphthyl)-2-[3-(1-naphthylamino)benzo[g]indol-2-ylidene]benzo[g]indol-3-amine (2E)-N-(1-naphthyl)-2-[3-(1-naph…

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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) 9.77 22.8 -79.28 4 4 2 52 614.752 4 ↓

Analogs

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Popular Name: 2-[2-[[(5E)-4-phenyl-5-(3,4,5-trimethylpyrrol-2-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]thiazol-4-yl 2-[2-[[(5E)-4-phenyl-5-(3,4,5-tr…

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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) 4.20 12.22 -55.15 1 7 -1 100 424.531 5 ↓

Analogs

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Popular Name: (5Z)-5-pyrrol-2-ylidene-1,3,4-thiadiazolidine-2-thione (5Z)-5-pyrrol-2-ylidene-1,3,4-th…

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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) 2.00 2.37 -28.56 1 3 -1 42 182.253 0 ↓
Lo Low (pH 4.5-6) 2.00 2.4 -10.08 2 3 0 43 183.261 0 ↓

Analogs

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Popular Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-[[(5E)-4-phenyl-5-(3,4,5-trimethylpyrrol-2-ylidene)-1H-1,2,4-tr 4-[3,5-bis(trifluoromethyl)pheny…

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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) 7.92 16.57 -14.03 1 5 0 59 579.595 6 ↓

Analogs

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Popular Name: 4-chloro-2-[[(5E)-4-phenyl-5-(3,4,5-trimethylpyrrol-2-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-1,3-b 4-chloro-2-[[(5E)-4-phenyl-5-(3,…

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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) 6.67 14 -15.52 1 5 0 59 452.008 3 ↓

Analogs

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Popular Name: butyl-[(1E,3E,5E)-5-(butylBLAHylidene)penta-1,3-dienyl]BLAH butyl-[(1E,3E,5E)-5-(butylBLAHyl…

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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) 6.39 22.29 -25.14 0 2 1 9 483.679 9 ↓
Lo Low (pH 4.5-6) 6.39 22.09 -49.51 1 2 0 8 484.687 9 ↓

Parameters Provided:

ring.id = 3275
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 = 3275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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