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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19882370
19882370

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-4-propyl-9-(p-tolylmethyl)-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 6-chloro-4-propyl-9-(p-tolylmeth…

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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) 5.31 10.44 -9.15 0 4 0 43 383.875 4 ↓

Analogs

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Popular Name: 4-butyl-6-chloro-9-[(4-fluorophenyl)methyl]-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 4-butyl-6-chloro-9-[(4-fluorophe…

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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) 5.59 10.61 -10.28 0 4 0 43 401.865 5 ↓

Analogs

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Popular Name: 3-ethyl-9-[(3-methoxyphenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-ethyl-9-[(3-methoxyphenyl)meth…

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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) 4.28 8.25 -13.25 0 5 0 52 365.429 4 ↓

Analogs

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Popular Name: 4-ethyl-9-[(2-methoxyphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-ethyl-9-[(2-methoxyphenyl)meth…

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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) 3.88 7.83 -13.15 0 5 0 52 351.402 4 ↓

Analogs

9305713
9305713

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Popular Name: methyl methyl

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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) 4.03 10.62 -14.44 0 6 0 69 407.466 6 ↓
Lo Low (pH 4.5-6) 4.03 13.47 -49.16 1 6 1 70 408.474 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.21 10.55 -15.54 0 6 0 69 427.884 6 ↓
Lo Low (pH 4.5-6) 4.21 13.28 -46.61 1 6 1 70 428.892 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.75 10 -15.22 0 6 0 69 411.429 6 ↓
Lo Low (pH 4.5-6) 3.75 12.85 -55.32 1 6 1 70 412.437 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.26 10.46 -14.59 0 6 0 69 427.884 6 ↓
Lo Low (pH 4.5-6) 4.26 13.3 -54.34 1 6 1 70 428.892 6 ↓

Analogs

13608245
13608245

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Popular Name: methyl methyl

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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) 3.23 9.12 -18.03 0 8 0 87 453.491 8 ↓
Lo Low (pH 4.5-6) 3.23 11.99 -56.39 1 8 1 89 454.499 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.87 11.06 -15.48 0 6 0 69 462.329 6 ↓
Lo Low (pH 4.5-6) 4.87 13.79 -51.2 1 6 1 70 463.337 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.87 10.9 -14.9 0 6 0 69 462.329 6 ↓
Lo Low (pH 4.5-6) 4.87 13.76 -57.36 1 6 1 70 463.337 6 ↓

Analogs

9305713
9305713
20610184
20610184

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Popular Name: methyl methyl

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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) 4.14 10.98 -13.62 0 6 0 69 407.466 6 ↓
Lo Low (pH 4.5-6) 4.14 13.45 -45.71 1 6 1 70 408.474 6 ↓

Analogs

9305713
9305713
20610184
20610184

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Popular Name: methyl methyl

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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) 4.14 10.82 -15.37 0 6 0 69 407.466 6 ↓
Lo Low (pH 4.5-6) 4.14 13.43 -48.77 1 6 1 70 408.474 6 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 3.58 9.94 -14.36 0 6 0 69 393.439 6 ↓
Lo Low (pH 4.5-6) 3.58 12.78 -49.08 1 6 1 70 394.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 3.64 9.23 -15.9 0 7 0 78 423.465 7 ↓
Lo Low (pH 4.5-6) 3.64 12.08 -52.53 1 7 1 79 424.473 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 3.59 9.36 -16.14 0 7 0 78 423.465 7 ↓
Lo Low (pH 4.5-6) 3.59 12.24 -45.45 1 7 1 79 424.473 7 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

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) 4.41 11.49 -14.17 0 6 0 69 421.493 7 ↓
Lo Low (pH 4.5-6) 4.41 14.36 -48.89 1 6 1 70 422.501 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) 4.59 11.47 -15.42 0 6 0 69 441.911 7 ↓
Lo Low (pH 4.5-6) 4.59 14.2 -46.24 1 6 1 70 442.919 7 ↓

Analogs

9305713
9305713

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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) 4.12 10.87 -15.04 0 6 0 69 425.456 7 ↓
Lo Low (pH 4.5-6) 4.12 13.76 -54.98 1 6 1 70 426.464 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) 4.63 11.34 -14.32 0 6 0 69 441.911 7 ↓
Lo Low (pH 4.5-6) 4.63 14.21 -53.96 1 6 1 70 442.919 7 ↓

Analogs

13608245
13608245

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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) 3.60 10 -17.79 0 8 0 87 467.518 9 ↓
Lo Low (pH 4.5-6) 3.60 12.9 -56.11 1 8 1 89 468.526 9 ↓

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) 5.24 11.98 -15.35 0 6 0 69 476.356 7 ↓
Lo Low (pH 4.5-6) 5.24 14.71 -50.76 1 6 1 70 477.364 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) 5.24 11.78 -14.71 0 6 0 69 476.356 7 ↓
Lo Low (pH 4.5-6) 5.24 14.67 -56.97 1 6 1 70 477.364 7 ↓

Analogs

9305713
9305713
20610182
20610182

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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) 4.52 11.88 -13.31 0 6 0 69 421.493 7 ↓
Lo Low (pH 4.5-6) 4.52 14.35 -45.46 1 6 1 70 422.501 7 ↓

Analogs

9305713
9305713
20610182
20610182

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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) 4.52 11.71 -15.14 0 6 0 69 421.493 7 ↓
Lo Low (pH 4.5-6) 4.52 14.35 -48.52 1 6 1 70 422.501 7 ↓

Analogs

9305713
9305713

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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) 3.96 10.82 -14.07 0 6 0 69 407.466 7 ↓
Lo Low (pH 4.5-6) 3.96 13.69 -48.83 1 6 1 70 408.474 7 ↓

Analogs

9305713
9305713

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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) 4.01 10.11 -15.58 0 7 0 78 437.492 8 ↓
Lo Low (pH 4.5-6) 4.01 13 -52.2 1 7 1 79 438.5 8 ↓

Analogs

9305713
9305713

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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) 3.97 10.29 -15.96 0 7 0 78 437.492 8 ↓
Lo Low (pH 4.5-6) 3.97 13.15 -45.07 1 7 1 79 438.5 8 ↓

Analogs

9305713
9305713
13592861
13592861

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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) 4.77 12.26 -14.15 0 6 0 69 435.52 7 ↓
Lo Low (pH 4.5-6) 4.77 15.11 -48.64 1 6 1 70 436.528 7 ↓

Analogs

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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) 4.95 12.18 -15.31 0 6 0 69 455.938 7 ↓
Lo Low (pH 4.5-6) 4.95 14.91 -46.12 1 6 1 70 456.946 7 ↓

Analogs

9305713
9305713

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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) 4.48 11.64 -14.95 0 6 0 69 439.483 7 ↓
Lo Low (pH 4.5-6) 4.48 14.48 -54.79 1 6 1 70 440.491 7 ↓

Analogs

20412580
20412580

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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) 5.00 12.09 -14.33 0 6 0 69 455.938 7 ↓
Lo Low (pH 4.5-6) 5.00 14.93 -53.74 1 6 1 70 456.946 7 ↓

Analogs

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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) 3.97 10.76 -17.8 0 8 0 87 481.545 9 ↓
Lo Low (pH 4.5-6) 3.97 13.62 -55.83 1 8 1 89 482.553 9 ↓

Analogs

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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) 5.60 12.69 -15.27 0 6 0 69 490.383 7 ↓
Lo Low (pH 4.5-6) 5.60 15.42 -50.61 1 6 1 70 491.391 7 ↓

Analogs

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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) 5.60 12.54 -14.71 0 6 0 69 490.383 7 ↓
Lo Low (pH 4.5-6) 5.60 15.39 -56.78 1 6 1 70 491.391 7 ↓

Analogs

9305713
9305713

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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) 4.88 12.62 -13.3 0 6 0 69 435.52 7 ↓
Lo Low (pH 4.5-6) 4.88 15.08 -45.25 1 6 1 70 436.528 7 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

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) 4.88 12.46 -15.09 0 6 0 69 435.52 7 ↓
Lo Low (pH 4.5-6) 4.88 15.06 -48.26 1 6 1 70 436.528 7 ↓

Analogs

9305713
9305713
13592861
13592861

Draw Identity 99% 90% 80% 70%

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) 4.32 11.57 -14.18 0 6 0 69 421.493 7 ↓
Lo Low (pH 4.5-6) 4.32 14.41 -48.62 1 6 1 70 422.501 7 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

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) 4.38 10.86 -15.62 0 7 0 78 451.519 8 ↓
Lo Low (pH 4.5-6) 4.38 13.71 -52.03 1 7 1 79 452.527 8 ↓

Analogs

9305713
9305713
13592861
13592861

Draw Identity 99% 90% 80% 70%

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) 4.33 11 -15.93 0 7 0 78 451.519 8 ↓
Lo Low (pH 4.5-6) 4.33 13.86 -44.9 1 7 1 79 452.527 8 ↓

Analogs

9305713
9305713

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Popular Name: propyl propyl

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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) 4.91 12.3 -13.95 0 6 0 69 435.52 8 ↓
Lo Low (pH 4.5-6) 4.91 15.18 -48.81 1 6 1 70 436.528 8 ↓

Analogs

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Popular Name: propyl propyl

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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) 5.09 12.26 -15.27 0 6 0 69 455.938 8 ↓
Lo Low (pH 4.5-6) 5.09 15.01 -46.12 1 6 1 70 456.946 8 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

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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) 4.62 11.68 -14.77 0 6 0 69 439.483 8 ↓
Lo Low (pH 4.5-6) 4.62 14.57 -54.9 1 6 1 70 440.491 8 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

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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) 5.14 12.13 -14.11 0 6 0 69 455.938 8 ↓
Lo Low (pH 4.5-6) 5.14 15.02 -53.9 1 6 1 70 456.946 8 ↓

Analogs

13608245
13608245

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

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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) 4.11 10.82 -17.6 0 8 0 87 481.545 10 ↓
Lo Low (pH 4.5-6) 4.11 13.7 -55.96 1 8 1 89 482.553 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

Find On: PubMed — Wikipedia — Google

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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) 5.74 12.77 -15.19 0 6 0 69 490.383 8 ↓
Lo Low (pH 4.5-6) 5.74 15.52 -50.58 1 6 1 70 491.391 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

Find On: PubMed — Wikipedia — Google

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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) 5.74 12.59 -14.47 0 6 0 69 490.383 8 ↓
Lo Low (pH 4.5-6) 5.74 15.48 -56.89 1 6 1 70 491.391 8 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.02 12.68 -13.12 0 6 0 69 435.52 8 ↓
Lo Low (pH 4.5-6) 5.02 15.15 -45.34 1 6 1 70 436.528 8 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.02 12.51 -14.94 0 6 0 69 435.52 8 ↓
Lo Low (pH 4.5-6) 5.02 15.15 -48.35 1 6 1 70 436.528 8 ↓

Analogs

9305713
9305713

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.46 11.63 -13.92 0 6 0 69 421.493 8 ↓
Lo Low (pH 4.5-6) 4.46 14.49 -48.7 1 6 1 70 422.501 8 ↓

Parameters Provided:

ring.id = 1487
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 = 1487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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