UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethyl dimethyl

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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) 2.12 9.56 -19.42 0 13 0 168 526.502 8 ↓
Lo Low (pH 4.5-6) 2.12 11.47 -48.12 1 13 1 169 527.51 8 ↓

Analogs

32195815
32195815
19723253
19723253

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Popular Name: 3,7-ditert-butyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-ditert-butyl-1,5-dimethyl-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) 2.87 9.51 -29.2 1 3 1 25 281.464 2 ↓
Hi High (pH 8-9.5) 2.87 7.64 -3.65 0 3 0 24 280.456 2 ↓

Analogs

34559310
34559310
34559311
34559311

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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) 0.53 12.07 -50.19 1 7 1 77 369.482 8 ↓
Mid Mid (pH 6-8) 0.53 8.85 -5.04 0 7 0 76 368.474 8 ↓

Analogs

19905335
19905335
49573572
49573572
19723271
19723271

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Popular Name: 3,7-dibenzyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-dibenzyl-3,7-diazabicyclo[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) 2.80 12.56 -35.22 1 3 1 25 321.444 4 ↓
Hi High (pH 8-9.5) 2.80 10.56 -4.97 0 3 0 24 320.436 4 ↓

Analogs

12401905
12401905
20470337
20470337

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Popular Name: 1,5-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonan-9-one 1,5-diphenyl-3,7-bis[(1S)-1-phen…

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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) 6.51 18.57 -6.35 0 3 0 24 500.686 6 ↓
Lo Low (pH 4.5-6) 6.51 19.8 -38.71 1 3 1 25 501.694 6 ↓
Lo Low (pH 4.5-6) 6.51 19.77 -37.69 1 3 1 25 501.694 6 ↓

Analogs

20470337
20470337
12401904
12401904

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Popular Name: 1,5-diphenyl-3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonan-9-one 1,5-diphenyl-3,7-bis[(1R)-1-phen…

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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) 6.51 17.53 -6.87 0 3 0 24 500.686 6 ↓
Lo Low (pH 4.5-6) 6.51 19.37 -36.99 1 3 1 25 501.694 6 ↓

Analogs

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Popular Name: (1R,5S)-3-(2-ethoxy-2-oxo-acetyl)-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbox (1R,5S)-3-(2-ethoxy-2-oxo-acetyl…

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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) 1.12 8.44 -10.12 1 7 0 79 369.487 7 ↓

Analogs

43443327
43443327

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Popular Name: dimethyl dimethyl

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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) 2.21 12.82 -18.85 0 13 0 168 526.502 8 ↓

Analogs

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Popular Name: N,N'-dibutyl-9-keto-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxamide N,N'-dibutyl-9-keto-1,5-dimethyl…

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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) 3.77 -0.94 -8.23 2 7 0 81 366.506 6 ↓

Analogs

16856329
16856329
16856330
16856330
16888994
16888994
16889058
16889058
4840635
4840635

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Popular Name: 3,7-bis(furan-2-carbonyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-bis(furan-2-carbonyl)-1,5-di…

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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) 2.86 10.6 -10.52 0 7 0 84 412.486 6 ↓

Analogs

19723256
19723256
19723257
19723257

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Popular Name: 3,7-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-diethyl-3,7-diazabicyclo[3.3…

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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) 0.76 6.95 -32.76 1 3 1 25 197.302 2 ↓
Hi High (pH 8-9.5) 0.76 5.08 -3.99 0 3 0 24 196.294 2 ↓

Analogs

19865427
19865427

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Popular Name: BRD-K86929910-001-01-9 BRD-K86929910-001-01-9

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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) 3.29 13.51 -33.04 1 3 1 25 349.498 4 ↓

Analogs

28103277
28103277

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Popular Name: dimethyl dimethyl

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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) 3.60 9.48 -12.01 0 7 0 76 505.398 6 ↓
Lo Low (pH 4.5-6) 3.60 11.36 -56.29 1 7 1 77 506.406 6 ↓

Parameters Provided:

ring.id = 3809
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 = 3809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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