UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d] 3-[(4-ethoxyphenyl)methyl]-N-(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) 1.87 8.42 -21.48 1 9 0 91 479.581 10 ↓
Mid Mid (pH 6-8) 1.87 8.9 -52.56 2 9 1 92 480.589 10 ↓

Analogs

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Popular Name: N-(3-imidazol-1-ylpropyl)-9-methoxy-3-[(5-methyl-2-furyl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2- N-(3-imidazol-1-ylpropyl)-9-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) 0.92 7.15 -21.12 1 9 0 95 439.516 8 ↓
Mid Mid (pH 6-8) 0.92 7.63 -51.04 2 9 1 96 440.524 8 ↓

Analogs

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Popular Name: 3-[(3,4-difluorophenyl)methyl]-10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-9-methoxy-1,2,4,5-tetrahy 3-[(3,4-difluorophenyl)methyl]-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) 2.91 2.09 -67.68 1 6 1 56 480.535 4 ↓

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) 3.72 2.4 -99.78 2 8 2 76 499.652 9 ↓

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) 3.72 2.65 -99.79 2 8 2 76 499.652 9 ↓

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) 1.55 0.09 -23.9 0 10 0 108 493.545 7 ↓

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) 3.44 0.5 -14.21 0 7 0 78 464.543 5 ↓

Analogs

20450237
20450237

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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) 3.10 2.01 -66.75 2 8 1 91 494.543 8 ↓

Analogs

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Popular Name: 3-[2-(2-fluorophenyl)acetyl]-9-methoxy-7-oxo-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4 3-[2-(2-fluorophenyl)acetyl]-9-m…

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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) 2.32 -1.34 -18.33 1 7 0 81 469.538 6 ↓

Analogs

11813778
11813778

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Popular Name: 10-[(3R)-3-hydroxypiperidine-1-carbonyl]-9-methoxy-3-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]-1,2,4 10-[(3R)-3-hydroxypiperidine-1-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) 2.96 -1.68 -64.22 2 7 1 76 472.65 5 ↓

Analogs

11813776
11813776

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Popular Name: 10-[(3S)-3-hydroxypiperidine-1-carbonyl]-9-methoxy-3-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]-1,2,4 10-[(3S)-3-hydroxypiperidine-1-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) 2.96 -1.18 -62.74 2 7 1 76 472.65 5 ↓

Analogs

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Popular Name: 9-methoxy-3-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2 9-methoxy-3-[(E)-3-(2-methoxyphe…

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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) 2.59 -0.08 -77.65 2 10 1 113 480.545 8 ↓

Analogs

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Popular Name: 9-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-3-(2,2,3,3-tetramethylcyclopropan 9-methoxy-N-methyl-N-[(4-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) 1.50 1.76 -25.66 0 10 0 111 471.558 5 ↓

Analogs

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Popular Name: 3-(2,4-dimethylbenzoyl)-9-methoxy-7-oxo-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diaz 3-(2,4-dimethylbenzoyl)-9-methox…

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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) 2.46 -1.81 -15.47 1 7 0 81 465.575 5 ↓

Analogs

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Popular Name: 3-(3-chlorothiophene-2-carbonyl)-10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-9-methoxy-1,2,4,5-tetra 3-(3-chlorothiophene-2-carbonyl)…

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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) 2.79 -0.7 -16.02 0 7 0 72 498.004 3 ↓

Analogs

20450853
20450853

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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) 3.08 4.01 -71.47 1 8 1 80 487.527 9 ↓

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) 1.53 1.3 -25.51 0 10 0 113 466.494 6 ↓

Analogs

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Popular Name: 3-[2-(3-fluorophenyl)acetyl]-9-methoxy-N-[(3-methoxyphenyl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1, 3-[2-(3-fluorophenyl)acetyl]-9-m…

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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) 2.78 -0.71 -20.39 1 8 0 90 493.535 7 ↓

Analogs

12034334
12034334
12034432
12034432

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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) 3.73 2.19 -19.15 0 7 0 78 478.52 8 ↓

Analogs

14961567
14961567

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Popular Name: 3-[2-(2,6-difluorophenyl)acetyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-t 3-[2-(2,6-difluorophenyl)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) 1.76 0.06 -22.2 1 10 0 120 487.463 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) 1.74 0.54 -25.53 0 10 0 107 497.548 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) 1.74 0.56 -24.81 0 10 0 107 497.548 8 ↓

Analogs

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Popular Name: 9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-[2-(m-tolyl)acetyl]-7-oxo-1,2,4,5-tetrahydropy 9-methoxy-N-[(4-methyl-1,2,5-oxa…

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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) 1.95 -1.05 -22.4 1 10 0 120 465.51 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) 1.79 -1.43 -16.83 1 10 0 119 480.521 8 ↓

Analogs

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Popular Name: 3-(1H-indol-3-ylmethyl)-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydro 3-(1H-indol-3-ylmethyl)-9-methox…

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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) 1.95 4.2 -24.29 2 10 0 118 462.51 6 ↓

Analogs

11786666
11786666

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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) 2.88 1.04 -14.94 0 7 0 78 418.515 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) 2.95 1.35 -16.72 0 8 0 91 489.572 8 ↓
Lo Low (pH 4.5-6) 2.95 1.47 -45.13 1 8 1 92 490.58 8 ↓

Analogs

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Popular Name: 3-(cyclobutanecarbonyl)-10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-9-methoxy-1,2,4,5-tetrahydropyri 3-(cyclobutanecarbonyl)-10-(3,4-…

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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) 1.62 -0.35 -15.36 0 7 0 72 435.524 3 ↓

Analogs

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Popular Name: 9-methoxy-3-(3-pyrazol-1-ylbenzoyl)-10-(thiomorpholine-4-carbonyl)-1,2,4,5-tetrahydropyrido[1,6-d][1 9-methoxy-3-(3-pyrazol-1-ylbenzo…

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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) 0.72 -0.16 -19.72 0 9 0 90 493.589 4 ↓

Analogs

11996291
11996291

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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) 2.20 0.99 -20.06 0 9 0 100 463.49 7 ↓
Lo Low (pH 4.5-6) 2.20 1.11 -48.22 1 9 1 101 464.498 7 ↓

Analogs

23128543
23128543

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Popular Name: 9-methoxy-3-(2-naphthylmethyl)-7-oxo-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepi 9-methoxy-3-(2-naphthylmethyl)-7…

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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) 3.66 -1.4 -65.59 2 6 1 65 474.606 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) 2.11 1.09 -26.61 0 10 0 107 483.521 9 ↓

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) 3.12 1.84 -49.78 1 9 1 92 498.6 9 ↓

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) 3.31 1.42 -51.69 1 8 1 82 482.601 9 ↓

Analogs

11840498
11840498

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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) 1.73 0.53 -20.99 0 9 0 98 485.562 8 ↓

Analogs

11840496
11840496

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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) 1.73 0.43 -20.15 0 9 0 98 485.562 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) 2.70 1.13 -18.02 0 8 0 91 461.518 7 ↓
Lo Low (pH 4.5-6) 2.70 1.19 -46.84 1 8 1 92 462.526 7 ↓

Analogs

11841181
11841181

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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) 3.86 2.8 -15.33 0 7 0 78 458.53 9 ↓

Analogs

11841180
11841180

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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) 3.86 2.8 -15.38 0 7 0 78 458.53 9 ↓

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) 4.26 1.37 -16.5 0 7 0 78 494.975 8 ↓

Analogs

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Popular Name: 9-methoxy-7-oxo-3-[2-(3-pyridyl)acetyl]-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diaz 9-methoxy-7-oxo-3-[2-(3-pyridyl)…

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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) 0.96 -2.84 -20.43 1 8 0 94 452.536 6 ↓
Lo Low (pH 4.5-6) 0.96 -2.73 -49.87 2 8 1 95 453.544 6 ↓

Analogs

12210719
12210719

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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) 2.54 0.84 -20.74 0 9 0 100 491.544 9 ↓
Lo Low (pH 4.5-6) 2.54 0.97 -48.08 1 9 1 101 492.552 9 ↓

Analogs

11841500
11841500

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Popular Name: 9-methoxy-3-[(2R)-2-methylbutanoyl]-7-oxo-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]di 9-methoxy-3-[(2R)-2-methylbutano…

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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) 2.02 -1.93 -15.7 1 7 0 81 417.531 6 ↓

Analogs

11841499
11841499

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Popular Name: 9-methoxy-3-[(2S)-2-methylbutanoyl]-7-oxo-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]di 9-methoxy-3-[(2S)-2-methylbutano…

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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) 2.02 -1.89 -17.5 1 7 0 81 417.531 6 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-9-methoxy-7-oxo-3-(3-phenylpropyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]di N-[(3-fluorophenyl)methyl]-9-met…

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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) 3.95 0.29 -67.47 2 6 1 65 464.561 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) 3.00 0.91 -17.26 0 8 0 91 475.545 9 ↓

Analogs

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Popular Name: 9-methoxy-3-(3-methylbut-2-enyl)-7-oxo-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diaze 9-methoxy-3-(3-methylbut-2-enyl)…

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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) 2.75 -0.76 -56.73 2 6 1 65 402.54 6 ↓

Analogs

11973633
11973633

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-3-(3-methyl5,6-dihydro-1,4-dioxine-2-carbonyl)-7-oxo-1, N-[(1S)-1-(2-furyl)ethyl]-9-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) 1.53 1.09 -18.8 0 10 0 103 471.51 5 ↓

Analogs

11973626
11973626

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-3-(3-methyl5,6-dihydro-1,4-dioxine-2-carbonyl)-7-oxo-1, N-[(1R)-1-(2-furyl)ethyl]-9-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) 1.53 1.37 -14.89 0 10 0 103 471.51 5 ↓

Analogs

12166386
12166386
11872072
11872072

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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) 1.10 1.17 -22.3 0 9 0 98 467.522 5 ↓

Parameters Provided:

ring.id = 22391
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 = 22391 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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