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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R,6R)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dih (2S,3S,4R,5R,6R)-2-[(1R,2S,3S,4S…

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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) -5.82 -15.51 -263.73 21 16 4 310 544.647 9 ↓
Hi High (pH 8-9.5) -5.82 -16.83 -164.01 20 16 3 308 543.639 9 ↓
Hi High (pH 8-9.5) -5.82 -16.59 -170.56 20 16 3 308 543.639 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R,6S)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dih (2S,3S,4R,5R,6S)-2-[(1R,2S,3S,4S…

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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) -5.82 -16.65 -266.84 21 16 4 310 544.647 9 ↓
Hi High (pH 8-9.5) -5.82 -15.55 -162.85 20 16 3 308 543.639 9 ↓
Hi High (pH 8-9.5) -5.82 -15.74 -173.5 20 16 3 308 543.639 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6R)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dih (2S,3S,4R,5S,6R)-2-[(1R,2S,3S,4S…

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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) -5.82 -17.86 -273.57 21 16 4 310 544.647 9 ↓
Hi High (pH 8-9.5) -5.82 -18.12 -167.04 20 16 3 308 543.639 9 ↓
Hi High (pH 8-9.5) -5.82 -18.12 -176.33 20 16 3 308 543.639 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6S)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dih (2S,3S,4R,5S,6S)-2-[(1R,2S,3S,4S…

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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) -5.82 -17.9 -274.15 21 16 4 310 544.647 9 ↓
Hi High (pH 8-9.5) -5.82 -18.21 -167.54 20 16 3 308 543.639 9 ↓
Hi High (pH 8-9.5) -5.82 -18.2 -175.71 20 16 3 308 543.639 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R,6R)-5-(3-aminopropoxy)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(a (2S,3S,4R,5R,6R)-5-(3-aminopropo…

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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) -5.56 -12.73 -268.83 19 15 4 284 529.632 9 ↓
Hi High (pH 8-9.5) -5.56 -14.13 -165.2 18 15 3 282 528.624 9 ↓
Hi High (pH 8-9.5) -5.56 -13.22 -170.15 18 15 3 282 528.624 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R,6S)-5-(3-aminopropoxy)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(a (2S,3S,4R,5R,6S)-5-(3-aminopropo…

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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) -5.56 -13.54 -271.32 19 15 4 284 529.632 9 ↓
Hi High (pH 8-9.5) -5.56 -13.33 -162.77 18 15 3 282 528.624 9 ↓
Hi High (pH 8-9.5) -5.56 -13.56 -176.44 18 15 3 282 528.624 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6R)-5-(3-aminopropoxy)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(a (2S,3S,4R,5S,6R)-5-(3-aminopropo…

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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) -5.56 -15.07 -276.14 19 15 4 284 529.632 9 ↓
Hi High (pH 8-9.5) -5.56 -15.33 -175.16 18 15 3 282 528.624 9 ↓
Hi High (pH 8-9.5) -5.56 -15.33 -166.93 18 15 3 282 528.624 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6S)-5-(3-aminopropoxy)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(a (2S,3S,4R,5S,6S)-5-(3-aminopropo…

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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) -5.56 -15.12 -276.79 19 15 4 284 529.632 9 ↓
Hi High (pH 8-9.5) -5.56 -15.41 -174.56 18 15 3 282 528.624 9 ↓
Hi High (pH 8-9.5) -5.56 -15.41 -167.57 18 15 3 282 528.624 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 13291-74-2; C01917; Gentamicin A 13291-74-2; C01917; Gentamicin A

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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) -5.40 -18.1 -281.9 17 14 4 258 472.536 6 ↓
Hi High (pH 8-9.5) -5.40 -20.03 -12.28 13 14 0 248 468.504 6 ↓
Hi High (pH 8-9.5) -5.40 -19.12 -51.3 14 14 1 250 469.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 55715-66-7; C17701; Gentamicin A2 55715-66-7; C17701; Gentamicin A2

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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) -5.45 -19.42 -205.35 16 14 3 261 458.485 5 ↓
Hi High (pH 8-9.5) -5.45 -20.46 -13.38 13 14 0 257 455.461 5 ↓
Hi High (pH 8-9.5) -5.45 -20.14 -49.73 14 14 1 258 456.469 5 ↓

Analogs

15449139
15449139
15449142
15449142

Draw Identity 99% 90% 80% 70%

Popular Name: 36889-17-5; C17702; Gentamicin X2 36889-17-5; C17702; Gentamicin X2

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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) -5.28 -16.52 -283.21 17 14 4 258 486.563 6 ↓
Hi High (pH 8-9.5) -5.28 -18.84 -10.74 13 14 0 248 482.531 6 ↓
Hi High (pH 8-9.5) -5.28 -17.98 -51 14 14 1 250 483.539 6 ↓

Analogs

15449139
15449139
15449142
15449142

Draw Identity 99% 90% 80% 70%

Popular Name: 51846-97-0; Antibiotic JI-20A; C17704; JI-20A 51846-97-0; Antibiotic JI-20A; C…

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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) -5.43 -16.05 -304.24 18 14 4 264 485.579 6 ↓
Hi High (pH 8-9.5) -5.43 -17.29 -107.33 16 14 2 257 483.563 6 ↓
Hi High (pH 8-9.5) -5.43 -17.68 -130.67 16 14 2 257 483.563 6 ↓

Analogs

15449139
15449139
15449142
15449142

Draw Identity 99% 90% 80% 70%

Popular Name: 51846-98-1; Antibiotic JI-20B; C17705; JI-20B 51846-98-1; Antibiotic JI-20B; C…

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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) -5.32 -15.03 -420.87 19 14 5 265 500.614 6 ↓
Hi High (pH 8-9.5) -5.32 -17.12 -128.1 16 14 2 257 497.59 6 ↓
Hi High (pH 8-9.5) -5.32 -16.71 -105.29 16 14 2 257 497.59 6 ↓

Analogs

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Popular Name: 6-O-Glc-paromamine; C17999 6-O-Glc-paromamine; C17999

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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) -5.54 -21.66 -202.04 17 15 3 282 488.511 6 ↓
Hi High (pH 8-9.5) -5.54 -22.38 -47.99 15 15 1 278 486.495 6 ↓
Hi High (pH 8-9.5) -5.54 -22.63 -13.42 14 15 0 277 485.487 6 ↓

Analogs

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Popular Name: nebramycin 5'(5+) nebramycin 5'(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) -5.68 -18.88 -433.36 21 16 5 308 515.585 8 ↓
Hi High (pH 8-9.5) -5.68 -20.25 -117.6 18 16 2 304 512.561 8 ↓
Hi High (pH 8-9.5) -5.68 -20.27 -134.9 18 16 2 304 512.561 8 ↓

Analogs

43543817
43543817

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Popular Name: GENETICIN GENETICIN

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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) -5.17 -14.58 -323.89 17 14 4 258 500.59 6 ↓
Hi High (pH 8-9.5) -5.17 -16.95 -55.15 14 14 1 250 497.566 6 ↓
Hi High (pH 8-9.5) -5.17 -17.86 -8.78 13 14 0 248 496.558 6 ↓

Analogs

43543817
43543817

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Popular Name: GENETICIN GENETICIN

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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) -5.17 -14.85 -312.98 17 14 4 258 500.59 6 ↓
Hi High (pH 8-9.5) -5.17 -17.06 -53.59 14 14 1 250 497.566 6 ↓
Hi High (pH 8-9.5) -5.17 -17.81 -9.86 13 14 0 248 496.558 6 ↓

Parameters Provided:

ring.id = 3661
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 = 3661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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