UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-[1-acetyl-5-(chloroBLAHyl)-4,5-dihydropyrazol-3-yl]phenyl]methanesulfonamide N-[3-[1-acetyl-5-(chloroBLAHyl)-…

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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 -4.8 -18.83 1 9 0 110 486.937 4 ↓
Hi High (pH 8-9.5) 2.95 -4.22 -43.21 0 9 -1 112 485.929 4 ↓

Analogs

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Popular Name: N-[3-[1-acetyl-5-(chloroBLAHyl)-4,5-dihydropyrazol-3-yl]phenyl]methanesulfonamide N-[3-[1-acetyl-5-(chloroBLAHyl)-…

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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 -5.01 -19.59 1 9 0 110 486.937 4 ↓
Hi High (pH 8-9.5) 2.95 -4.43 -44.33 0 9 -1 112 485.929 4 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-3-(3-methylpyrazol-1-yl)-N-[(6-morpholino-[1,3]dioxolo[4,5-g]quinolin-7- N-[2-(1-cyclohexenyl)ethyl]-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) 4.10 12.64 -13.61 0 9 0 82 531.657 9 ↓

Analogs

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Popular Name: [8-(azepan-1-yl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-(p-tolyl)methanone [8-(azepan-1-yl)-[1,3]dioxolo[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) 5.44 10.78 -8.06 0 5 0 52 388.467 3 ↓

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) 5.04 12.1 -13.15 0 7 0 78 446.503 6 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-[8-(1-piperidyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methanone (3,4-dimethylphenyl)-[8-(1-piper…

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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 11.11 -8.09 0 5 0 52 388.467 3 ↓

Analogs

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Popular Name: 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide 1-[7-(3,4-dimethylbenzoyl)-[1,3]…

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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) 3.91 7.76 -17.25 2 7 0 95 431.492 4 ↓

Analogs

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Popular Name: BRD-K75381802-001-01-7 BRD-K75381802-001-01-7

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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) 4.89 10.97 -8.4 0 5 0 52 374.44 4 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-[8-(1-piperidyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methanone (4-methoxyphenyl)-[8-(1-piperidy…

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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) 4.54 9.2 -8.24 0 6 0 61 390.439 4 ↓

Analogs

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Popular Name: 2,2-Difluoro-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile 2,2-Difluoro-8-oxo-5,8-dihydro-[…

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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) 2.18 2.42 -31.04 0 5 -1 78 249.152 0 ↓
Mid Mid (pH 6-8) 0.88 3.83 -25.23 1 5 0 75 250.16 0 ↓

Analogs

11841602
11841602
19111388
19111388
19111393
19111393

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Popular Name: (4S)-N-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2,2-dimethyl- (4S)-N-[[6-[4-(3-chlorophenyl)pi…

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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 -5.22 -121.61 3 7 2 65 511.066 5 ↓

Analogs

19111388
19111388
19111393
19111393
11841601
11841601

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Popular Name: (4R)-N-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2,2-dimethyl- (4R)-N-[[6-[4-(3-chlorophenyl)pi…

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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 -5.23 -121.28 3 7 2 65 511.066 5 ↓

Analogs

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Popular Name: 6-chloro-7-(chloromethyl)-[1,3]dioxolo[4,5-g]quinoline 6-chloro-7-(chloromethyl)-[1,3]d…

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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) 3.33 -0.82 -8.22 0 3 0 31 256.088 1 ↓

Analogs

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Popular Name: 6-chloro-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile 6-chloro-[1,3]dioxolo[4,5-g]quin…

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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) 2.51 0.48 -8.41 0 4 0 55 232.626 0 ↓

Analogs

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Popular Name: 2-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetonitrile 2-(6-chloro-[1,3]dioxolo[4,5-g]q…

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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) 2.72 0.68 -14.12 0 4 0 55 246.653 1 ↓

Analogs

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Popular Name: 3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanenitrile 3-(6-chloro-[1,3]dioxolo[4,5-g]q…

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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) 2.64 0.83 -12.68 0 4 0 55 260.68 2 ↓

Analogs

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Popular Name: (E)-3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)prop-2-enoic (E)-3-(6-chloro-[1,3]dioxolo[4,5…

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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) 2.55 -0.95 -48.84 0 5 -1 71 276.655 2 ↓

Analogs

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Popular Name: 3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanoic 3-(6-chloro-[1,3]dioxolo[4,5-g]q…

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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 -0.93 -47.85 0 5 -1 71 278.671 3 ↓

Analogs

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Popular Name: 6-chloro-7-(2-chloroethyl)-[1,3]dioxolo[4,5-g]quinoline 6-chloro-7-(2-chloroethyl)-[1,3]…

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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) 3.54 -0.68 -8 0 3 0 31 270.115 2 ↓

Analogs

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Popular Name: 6-chloro-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl 6-chloro-[1,3]dioxolo[4,5-g]quin…

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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) 3.21 -0.7 -7.96 0 4 0 48 270.071 1 ↓

Analogs

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Popular Name: 3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanoyl 3-(6-chloro-[1,3]dioxolo[4,5-g]q…

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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) 3.94 -0.51 -9.47 0 4 0 48 298.125 3 ↓

Analogs

12029424
12029424

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Popular Name: (2R)-N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-methoxy-propan-2-amine (2R)-N-[[6-(4-fluorophenyl)-[1,3…

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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) 3.66 -0.75 -47.12 2 5 1 57 369.416 6 ↓

Analogs

12029421
12029421

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Popular Name: (2S)-N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-methoxy-propan-2-amine (2S)-N-[[6-(4-fluorophenyl)-[1,3…

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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) 3.66 -0.77 -49.08 2 5 1 57 369.416 6 ↓

Analogs

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Popular Name: 1-[[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methylamino]methyl]cyclohexan-1-ol 1-[[[6-(4-fluorophenyl)-[1,3]dio…

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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) 4.69 -2.4 -64.78 3 5 1 68 409.481 5 ↓

Analogs

12031505
12031505

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Popular Name: (2R)-1-methoxy-N-[[6-(3-thienyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]propan-2-amine (2R)-1-methoxy-N-[[6-(3-thienyl)…

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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) 3.09 -2.17 -45.3 2 5 1 57 357.455 6 ↓

Analogs

12031501
12031501

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Popular Name: (2S)-1-methoxy-N-[[6-(3-thienyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]propan-2-amine (2S)-1-methoxy-N-[[6-(3-thienyl)…

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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) 3.09 -2.2 -46.78 2 5 1 57 357.455 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[6-(2,5-dimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-fluoro-benzamid N-cyclopropyl-N-[[6-(2,5-dimetho…

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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) 4.54 1.09 -13.09 0 7 0 70 500.526 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[6-(2,5-dimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-(3-thienyl)acet N-cyclopropyl-N-[[6-(2,5-dimetho…

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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) 4.55 0.36 -17.41 0 7 0 70 502.592 8 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[6-(2,5-dimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-4-methyl-benzamid N-cyclopropyl-N-[[6-(2,5-dimetho…

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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) 4.85 0.67 -13.1 0 7 0 70 496.563 7 ↓
Lo Low (pH 4.5-6) 4.85 0.84 -33.7 1 7 1 71 497.571 7 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]methanamine 1-(3-fluorophenyl)-N-[[6-(4-fluo…

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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) 4.89 0.37 -58.64 2 4 1 48 405.424 5 ↓
Lo Low (pH 4.5-6) 4.89 0.46 -121.2 3 4 2 49 406.432 5 ↓

Analogs

12219298
12219298

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Popular Name: (4S)-N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2,2-dimethyl-tetrahydropyran-4- (4S)-N-[[6-(4-fluorophenyl)-[1,3…

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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) 4.53 -1.29 -54.21 2 5 1 57 409.481 4 ↓
Lo Low (pH 4.5-6) 4.53 -1.21 -117.37 3 5 2 58 410.489 4 ↓

Analogs

12219297
12219297

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Popular Name: (4R)-N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2,2-dimethyl-tetrahydropyran-4- (4R)-N-[[6-(4-fluorophenyl)-[1,3…

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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) 4.53 -1.28 -53 2 5 1 57 409.481 4 ↓
Lo Low (pH 4.5-6) 4.53 -1.2 -116.31 3 5 2 58 410.489 4 ↓

Analogs

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Popular Name: 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide 2-[(7-cyano-[1,3]dioxolo[4,5-g]q…

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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) 0.55 2.11 -28.08 3 10 0 150 397.372 4 ↓
Hi High (pH 8-9.5) 1.00 0.21 -51.48 2 10 -1 153 396.364 4 ↓

Analogs

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Popular Name: N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(p-tolylmethyl)pyridine-3-carboxamide N-[(6-chloro-[1,3]dioxolo[4,5-g]…

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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 10.01 -12.37 0 6 0 65 445.906 5 ↓

Analogs

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Popular Name: 3-benzyl-1-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(2-methoxyethyl)urea 3-benzyl-1-[(6-chloro-[1,3]dioxo…

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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 8.73 -12.98 1 7 0 73 427.888 7 ↓

Analogs

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Popular Name: 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-(3-methoxyphenyl)thiourea 1-[2-[(7-cyano-[1,3]dioxolo[4,5-…

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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) 2.76 6.97 -17.58 3 8 0 100 421.482 8 ↓

Analogs

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Popular Name: 4-chloro-N-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]benzenesulfonamide 4-chloro-N-[2-[(7-cyano-[1,3]dio…

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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) 3.06 4.58 -14.64 2 8 0 113 430.873 6 ↓

Analogs

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Popular Name: N-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]acetamide N-[3-[(7-cyano-[1,3]dioxolo[4,5-…

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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) 1.11 3.83 -14.63 2 7 0 96 312.329 5 ↓

Analogs

13013647
13013647

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Popular Name: 1-[(5R)-5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-cyclopropyl-4,5-dihydropyrazol-1-yl]ethanone 1-[(5R)-5-(6-chloro-[1,3]dioxolo…

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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) 3.02 7.19 -11.04 0 6 0 64 357.797 2 ↓

Analogs

13013645
13013645

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Popular Name: 1-[(5S)-5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-cyclopropyl-4,5-dihydropyrazol-1-yl]ethanone 1-[(5S)-5-(6-chloro-[1,3]dioxolo…

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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) 3.02 7.21 -11.07 0 6 0 64 357.797 2 ↓

Analogs

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Popular Name: (E)-3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-1-cyclopropyl-prop-2-en-1-one (E)-3-(6-chloro-[1,3]dioxolo[4,5…

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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) 3.34 7.3 -11.76 0 4 0 48 301.729 3 ↓

Analogs

6941560
6941560

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Popular Name: 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide 6,8-dimethyl-[1,3]dioxolo[4,5-g]…

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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) 1.68 1.09 -10.92 2 5 0 74 244.25 1 ↓
Lo Low (pH 4.5-6) 1.68 1.49 -33.14 3 5 1 76 245.258 1 ↓

Analogs

3338419
3338419

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Popular Name: 7,8-dimethyl-6-(2-thienyl)-[1,3]dioxolo[4,5-g]quinoline 7,8-dimethyl-6-(2-thienyl)-[1,3]…

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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) 4.54 7.13 -9.22 0 3 0 31 283.352 1 ↓
Lo Low (pH 4.5-6) 4.54 7.33 -24.66 1 3 1 33 284.36 1 ↓

Analogs

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Popular Name: 6-(1,3-benzodioxol-5-yl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline 6-(1,3-benzodioxol-5-yl)-8-methy…

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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) 4.27 6.37 -12.78 0 5 0 50 307.305 1 ↓
Mid Mid (pH 6-8) 4.27 6.68 -32.76 1 5 1 51 308.313 1 ↓

Analogs

3437797
3437797
3338401
3338401

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Popular Name: 6,8-dimethyl-N-phenyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide 6,8-dimethyl-N-phenyl-[1,3]dioxo…

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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 6.32 -10.64 1 5 0 60 320.348 2 ↓
Lo Low (pH 4.5-6) 3.75 6.71 -34.03 2 5 1 62 321.356 2 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 2.48 5.44 -9.76 0 6 0 67 303.314 5 ↓

Analogs

3437797
3437797
3338401
3338401

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Popular Name: 6,8-dimethyl-N-(o-tolyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide 6,8-dimethyl-N-(o-tolyl)-[1,3]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) 4.15 7.22 -10.58 1 5 0 60 334.375 2 ↓
Lo Low (pH 4.5-6) 4.15 7.61 -33.96 2 5 1 62 335.383 2 ↓

Analogs

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Popular Name: dimethyl 8-methyl[1,3]dioxolo[4,5-g]quinoline-6,7-dicarboxylate dimethyl 8-methyl[1,3]dioxolo[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) 2.54 5.7 -12.68 0 7 0 84 303.27 4 ↓

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) 2.47 -1.73 -11.28 1 7 0 86 362.407 7 ↓
Lo Low (pH 4.5-6) 2.47 -1.59 -35.67 2 7 1 88 363.415 7 ↓

Analogs

928293
928293

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Popular Name: 2-(methylBLAHyl)sulfanyl-1-(2-thienyl)ethanone 2-(methylBLAHyl)sulfanyl-1-(2-th…

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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) 4.17 -0.98 -10.41 0 4 0 48 343.429 4 ↓
Lo Low (pH 4.5-6) 4.17 -0.84 -33.14 1 4 1 49 344.437 4 ↓

Parameters Provided:

ring.id = 6950
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 6950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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