UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34876061
34876061
12501092
12501092

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Popular Name: Rp-camps triethylamine Rp-camps triethylamine

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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) 0.08 1.97 -31.39 4 10 0 138 345.277 1 ↓
Lo Low (pH 4.5-6) 0.08 2.23 -63.94 5 10 1 139 346.285 1 ↓
Lo Low (pH 4.5-6) 0.08 -2.15 -61.82 5 10 1 139 346.285 1 ↓

Analogs

34876061
34876061
12501092
12501092

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Popular Name: (1S,3R,6S,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0] (1S,3R,6S,8R,9R)-8-(6-aminopurin…

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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) 0.08 2.07 -36.79 4 10 0 138 345.277 1 ↓
Lo Low (pH 4.5-6) 0.08 2.33 -66.11 5 10 1 139 346.285 1 ↓
Lo Low (pH 4.5-6) 0.08 -2.05 -65.55 5 10 1 139 346.285 1 ↓

Analogs

34884389
34884389
34884390
34884390
34886584
34886584
38580952
38580952
38580953
38580953

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Popular Name: (1R,3R,6S,8R,9S)-8-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyc (1R,3R,6S,8R,9S)-8-(6-amino-8-br…

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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) 1.21 2.64 -23.02 4 10 0 138 424.173 1 ↓
Lo Low (pH 4.5-6) 1.21 2.54 -51.07 5 10 1 139 425.181 1 ↓
Lo Low (pH 4.5-6) 1.21 -0.76 -55.06 5 10 1 139 425.181 1 ↓

Analogs

34884389
34884389
34884390
34884390
34886584
34886584
38580952
38580952
38580953
38580953

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Popular Name: (1R,3R,6S,8S,9S)-8-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyc (1R,3R,6S,8S,9S)-8-(6-amino-8-br…

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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) 1.21 1.88 -22.86 4 10 0 138 424.173 1 ↓
Lo Low (pH 4.5-6) 1.21 2.25 -46.28 5 10 1 139 425.181 1 ↓
Lo Low (pH 4.5-6) 1.21 -1.83 -48.32 5 10 1 139 425.181 1 ↓

Analogs

38580961
38580961
38580962
38580962

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Popular Name: (1R,3R,6S,8R,9S)-8-(6-amino-8-chloro-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicy (1R,3R,6S,8R,9S)-8-(6-amino-8-ch…

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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) 1.08 2.6 -23.13 4 10 0 138 379.722 1 ↓
Lo Low (pH 4.5-6) 1.08 2.51 -51.49 5 10 1 139 380.73 1 ↓
Lo Low (pH 4.5-6) 1.08 -0.79 -55.3 5 10 1 139 380.73 1 ↓

Analogs

38580961
38580961
38580962
38580962

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Popular Name: (1R,3R,6S,8S,9S)-8-(6-amino-8-chloro-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicy (1R,3R,6S,8S,9S)-8-(6-amino-8-ch…

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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) 1.08 1.35 -22.59 4 10 0 138 379.722 1 ↓
Lo Low (pH 4.5-6) 1.08 1.61 -59.99 5 10 1 139 380.73 1 ↓
Lo Low (pH 4.5-6) 1.08 -2.77 -55.43 5 10 1 139 380.73 1 ↓

Analogs

34002496
34002496
34002497
34002497
36488908
36488908
36488909
36488909

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Popular Name: Rp-8-pCPT-cyclicGMPSSodium Rp-8-pCPT-cyclicGMPSSodium

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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) 2.04 5.07 -31.04 5 11 0 158 503.886 3 ↓

Analogs

34002496
34002496
34002497
34002497

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Popular Name: Rp-8-pCPT-cyclicGMPSSodium Rp-8-pCPT-cyclicGMPSSodium

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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) 2.04 5.2 -32.73 5 11 0 158 503.886 3 ↓

Analogs

38580921
38580921

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Popular Name: (1S,3R,6R,8R,9R)-8-[6-amino-8-(2-aminoethylamino)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5} (1S,3R,6R,8R,9R)-8-[6-amino-8-(2…

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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) -0.94 0.64 -77.33 8 12 1 177 404.369 4 ↓
Hi High (pH 8-9.5) -0.94 0.27 -28.65 7 12 0 176 403.361 4 ↓
Lo Low (pH 4.5-6) -0.94 1.11 -124.35 9 12 2 179 405.377 4 ↓

Analogs

38580920
38580920

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Popular Name: (1S,3S,6R,8R,9R)-8-[6-amino-8-(2-aminoethylamino)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5} (1S,3S,6R,8R,9R)-8-[6-amino-8-(2…

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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) -0.94 0.8 -77.32 8 12 1 177 404.369 4 ↓
Hi High (pH 8-9.5) -0.94 0.43 -26.35 7 12 0 176 403.361 4 ↓
Lo Low (pH 4.5-6) -0.94 1.27 -114.04 9 12 2 179 405.377 4 ↓

Analogs

38580923
38580923

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Popular Name: 2-amino-8-(2-aminoethylsulfanyl)-9-[(1R,4R,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-pho 2-amino-8-(2-aminoethylsulfanyl)…

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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) -1.36 -0.01 -83.84 8 12 1 185 437.42 4 ↓
Hi High (pH 8-9.5) -1.36 -0.4 -36.53 7 12 0 184 436.412 4 ↓

Analogs

38580922
38580922

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Popular Name: 2-amino-8-(2-aminoethylsulfanyl)-9-[(1R,4S,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-pho 2-amino-8-(2-aminoethylsulfanyl)…

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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) -1.36 0.01 -68.45 8 12 1 185 437.42 4 ↓
Hi High (pH 8-9.5) -1.36 -0.38 -32.79 7 12 0 184 436.412 4 ↓

Analogs

38580925
38580925

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Popular Name: (1S,3R,6R,8R,9R)-8-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5} (1S,3R,6R,8R,9R)-8-[6-amino-8-(6…

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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) 0.61 3.75 -69.41 8 12 1 177 460.477 8 ↓
Lo Low (pH 4.5-6) 0.61 4.22 -111.35 9 12 2 179 461.485 8 ↓

Analogs

38580924
38580924

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Popular Name: (1S,3S,6R,8R,9R)-8-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5} (1S,3S,6R,8R,9R)-8-[6-amino-8-(6…

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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) 0.61 3.92 -68.53 8 12 1 177 460.477 8 ↓
Lo Low (pH 4.5-6) 0.61 4.38 -100.19 9 12 2 179 461.485 8 ↓

Analogs

42854036
42854036

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Popular Name: [(1R,3S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0 [(1R,3S,6R,8R,9R)-8-(6-aminopuri…

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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) 0.70 4.33 -68.41 7 13 1 184 488.487 9 ↓

Analogs

42854039
42854039

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Popular Name: [(1R,3S,6R,8R,9R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabic [(1R,3S,6R,8R,9R)-8-(2-amino-6-o…

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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) -0.46 3.67 -79.83 8 14 1 204 504.486 9 ↓

Analogs

42854050
42854050

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Popular Name: (1S,3S,6R,8R,9R)-8-[6-amino-2-(6-aminohexylamino)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5} (1S,3S,6R,8R,9R)-8-[6-amino-2-(6…

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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) 1.03 3.76 -65.17 8 12 1 177 460.477 8 ↓
Lo Low (pH 4.5-6) 1.03 4.12 -103.05 9 12 2 179 461.485 8 ↓

Analogs

38580953
38580953
14806318
14806318

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Popular Name: (1S,3R,6R,8R,9R)-8-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyc (1S,3R,6R,8R,9R)-8-(6-amino-8-br…

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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) 1.21 1.88 -25.97 4 10 0 138 424.173 1 ↓

Analogs

38580952
38580952

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Popular Name: 8-Bromoadenosine 3',5'-cyclic monophosphothiaoate, Sp-isomer sodium salt 8-Bromoadenosine 3',5'-cyclic mo…

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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) 1.21 1.97 -22.24 4 10 0 138 424.173 1 ↓

Analogs

38580955
38580955

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Popular Name: 2-amino-8-bromo-9-[(1R,4R,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0 2-amino-8-bromo-9-[(1R,4R,6S,7R,…

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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) 0.04 1.25 -34.65 5 11 0 158 440.172 1 ↓

Analogs

38580954
38580954

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Popular Name: 2-amino-8-bromo-9-[(1R,4S,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0 2-amino-8-bromo-9-[(1R,4S,6S,7R,…

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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) 0.04 1.27 -32.68 5 11 0 158 440.172 1 ↓

Analogs

42854056
42854056

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Popular Name: [(1R,3R,6R,8R,9R)-8-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicy [(1R,3R,6R,8R,9R)-8-(6-amino-8-b…

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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) 2.83 7.28 -26.59 3 11 0 144 494.264 5 ↓

Analogs

38580962
38580962
14806335
14806335
14806339
14806339

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Popular Name: 8-CHLOROADENOSINE-3',5'-CYCLICMONOPHOSPHOROTHIOATE,RP-ISOMERSODIUMSALT 8-CHLOROADENOSINE-3',5'-CYCLICMO…

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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) 1.08 1.87 -26.24 4 10 0 138 379.722 1 ↓

Analogs

38580961
38580961
14806335
14806335
14806339
14806339

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Popular Name: 8-CHLOROADENOSINE-3',5'-CYCLICMONOPHOSPHOROTHIOATE,RP-ISOMERSODIUMSALT 8-CHLOROADENOSINE-3',5'-CYCLICMO…

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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) 1.08 1.41 -22.07 4 10 0 138 379.722 1 ↓

Analogs

38580998
38580998

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Popular Name: 6-amino-9-[(1S,3R,6R,8R,9R)-3,9-dihydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8 6-amino-9-[(1S,3R,6R,8R,9R)-3,9-…

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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) -0.28 -0.51 -26.77 5 11 0 158 361.276 1 ↓
Mid Mid (pH 6-8) 0.18 -1.87 -50.04 4 11 -1 161 360.268 1 ↓

Analogs

38580997
38580997

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Popular Name: 6-amino-9-[(1S,3S,6R,8R,9R)-3,9-dihydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8 6-amino-9-[(1S,3S,6R,8R,9R)-3,9-…

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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) -0.28 -0.56 -25.24 5 11 0 158 361.276 1 ↓
Mid Mid (pH 6-8) 0.18 -1.86 -54.63 4 11 -1 161 360.268 1 ↓

Analogs

38581001
38581001

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Popular Name: [(1R,3R,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0 [(1R,3R,6R,8R,9R)-8-(6-aminopuri…

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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) 1.70 7.63 -31.27 3 11 0 144 415.368 5 ↓

Analogs

38581000
38581000

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Popular Name: [(1R,3S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0 [(1R,3S,6R,8R,9R)-8-(6-aminopuri…

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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) 1.70 7.63 -26.89 3 11 0 144 415.368 5 ↓

Analogs

38581015
38581015

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Popular Name: (1S,3R,6R,8R,9R)-8-[6-amino-8-(1-piperidyl)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosp (1S,3R,6R,8R,9R)-8-[6-amino-8-(1…

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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) 1.41 5.68 -26.79 4 11 0 141 428.411 2 ↓

Analogs

38581014
38581014

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Popular Name: 8-PIPERIDINOADENOSINE-3',5'-CYCLICMONOPHOSPHOROTHIOATE,SP-ISOMERSODIUMSALT 8-PIPERIDINOADENOSINE-3',5'-CYCL…

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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) 1.41 5.86 -23.93 4 11 0 141 428.411 2 ↓

Parameters Provided:

ring.id = 253375
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 = 253375 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=253375&filter.purchasability=annotated

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