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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(8R)-6-butyl-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]-cyclohexyl-methano [(8R)-6-butyl-8-methyl-1,3,4,7,8…

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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 10.66 -10.73 0 4 0 42 370.537 4 ↓
Mid Mid (pH 6-8) 4.85 10.97 -35.87 1 4 1 44 371.545 4 ↓

Analogs

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Popular Name: (8R)-8-methyl-6-(phenoxymethyl)-N-[(1S)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]napht (8R)-8-methyl-6-(phenoxymethyl)-…

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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 11.37 -13.92 1 6 0 64 457.574 5 ↓
Lo Low (pH 4.5-6) 5.43 12.04 -37.54 2 6 1 65 458.582 5 ↓

Analogs

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Popular Name: (8R)-8-methyl-6-(phenoxymethyl)-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]napht (8R)-8-methyl-6-(phenoxymethyl)-…

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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 11.37 -13.43 1 6 0 64 457.574 5 ↓
Lo Low (pH 4.5-6) 5.43 12.04 -37.45 2 6 1 65 458.582 5 ↓

Analogs

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Popular Name: (8S)-8-methyl-6-(phenoxymethyl)-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]napht (8S)-8-methyl-6-(phenoxymethyl)-…

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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 11.38 -14.1 1 6 0 64 457.574 5 ↓
Lo Low (pH 4.5-6) 5.43 12.06 -37.48 2 6 1 65 458.582 5 ↓

Analogs

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Popular Name: [(8R)-6-butyl-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]-(3-pyridyl)methano [(8R)-6-butyl-8-methyl-1,3,4,7,8…

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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) 2.56 8.29 -11.27 0 5 0 55 365.477 4 ↓
Mid Mid (pH 6-8) 2.56 8.6 -35.76 1 5 1 57 366.485 4 ↓

Analogs

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Popular Name: (8R)-N-(3-cyanophenyl)-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-car (8R)-N-(3-cyanophenyl)-8-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) 4.13 11.09 -13.92 1 6 0 78 424.504 2 ↓
Lo Low (pH 4.5-6) 4.13 11.34 -38.7 2 6 1 79 425.512 2 ↓

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) 4.41 10.1 -12.72 1 8 0 90 467.566 7 ↓
Lo Low (pH 4.5-6) 4.41 10.77 -35.22 2 8 1 91 468.574 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) 4.41 10.1 -12.01 1 8 0 90 467.566 7 ↓
Lo Low (pH 4.5-6) 4.41 10.76 -35.15 2 8 1 91 468.574 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) 4.41 10.1 -12.63 1 8 0 90 467.566 7 ↓
Lo Low (pH 4.5-6) 4.41 10.77 -34.93 2 8 1 91 468.574 7 ↓

Analogs

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Popular Name: cyclopropyl-[(8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]nap cyclopropyl-[(8S)-6-(4-methoxy-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.90 12.66 -12.93 0 5 0 52 454.57 4 ↓
Lo Low (pH 4.5-6) 4.90 12.75 -37.69 1 5 1 53 455.578 4 ↓

Analogs

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Popular Name: (8R)-2-(3,5-dimethylisoxazol-4-yl)sulfonyl-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6 (8R)-2-(3,5-dimethylisoxazol-4-y…

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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) 2.82 7.42 -14.49 0 7 0 86 439.537 3 ↓

Analogs

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Popular Name: (2-fluoro-5-iodo-phenyl)-[(8R)-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]na (2-fluoro-5-iodo-phenyl)-[(8R)-8…

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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) 5.01 11.67 -13.73 0 5 0 52 558.391 4 ↓

Analogs

38792185
38792185

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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) 4.19 10.34 -12.01 1 7 0 81 437.54 5 ↓
Lo Low (pH 4.5-6) 4.19 10.69 -32.65 2 7 1 82 438.548 5 ↓

Analogs

38792185
38792185

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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) 4.19 10.32 -11.02 1 7 0 81 437.54 5 ↓
Lo Low (pH 4.5-6) 4.19 10.67 -32.45 2 7 1 82 438.548 5 ↓

Analogs

38792185
38792185

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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) 4.19 10.34 -10.85 1 7 0 81 437.54 5 ↓
Lo Low (pH 4.5-6) 4.19 10.71 -32.13 2 7 1 82 438.548 5 ↓

Analogs

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Popular Name: N-[4-[[(8R)-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]sulfonyl]phe N-[4-[[(8R)-8-methyl-6-phenyl-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) 3.18 7.7 -19.52 1 7 0 89 477.586 4 ↓

Analogs

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Popular Name: (8R)-N-allyl-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide (8R)-N-allyl-8-methyl-6-phenyl-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) 3.90 8.3 -12.35 1 5 0 54 363.461 3 ↓
Lo Low (pH 4.5-6) 3.90 8.65 -33.82 2 5 1 56 364.469 3 ↓

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) 5.84 13.45 -12.71 1 8 0 90 543.664 7 ↓
Mid Mid (pH 6-8) 5.84 13.53 -36.47 2 8 1 91 544.672 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) 5.84 13.46 -12.29 1 8 0 90 543.664 7 ↓
Mid Mid (pH 6-8) 5.84 13.54 -37.07 2 8 1 91 544.672 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) 5.84 13.68 -12.08 1 8 0 90 543.664 7 ↓
Mid Mid (pH 6-8) 5.84 13.91 -36.4 2 8 1 91 544.672 7 ↓

Analogs

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Popular Name: cyclohexyl-[(8R)-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-y cyclohexyl-[(8R)-8-methyl-6-(phe…

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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 10.99 -12.91 0 5 0 52 420.553 4 ↓
Lo Low (pH 4.5-6) 4.88 11.65 -37.28 1 5 1 53 421.561 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) 5.38 13.35 -16.27 1 8 0 90 543.664 9 ↓
Mid Mid (pH 6-8) 5.38 13.65 -40.9 2 8 1 91 544.672 9 ↓

Analogs

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Popular Name: (8S)-N-allyl-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyr (8S)-N-allyl-6-(4-methoxy-2-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) 5.55 11.43 -13.43 1 6 0 64 469.585 5 ↓
Mid Mid (pH 6-8) 5.55 11.5 -38.21 2 6 1 65 470.593 5 ↓

Analogs

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Popular Name: (8R)-8-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-6-(phenoxymethyl)-1,3,4,7,8,10- (8R)-8-methyl-2-[(4-methyl-2,3-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) 4.13 8.29 -16.72 0 8 0 81 521.639 5 ↓

Analogs

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Popular Name: [(8R)-6-butyl-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]-(2-furyl)methanone [(8R)-6-butyl-8-methyl-1,3,4,7,8…

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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) 3.53 8.6 -11.3 0 5 0 56 354.45 4 ↓
Mid Mid (pH 6-8) 3.53 8.91 -34.91 1 5 1 57 355.458 4 ↓

Analogs

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Popular Name: [(8R)-6-butyl-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]-(2-fluoro-5-iodo-p [(8R)-6-butyl-8-methyl-1,3,4,7,8…

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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) 4.97 11.33 -12.02 0 4 0 42 508.375 4 ↓
Lo Low (pH 4.5-6) 4.97 11.64 -36.06 1 4 1 44 509.383 4 ↓

Analogs

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Popular Name: [(8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2- [(8S)-6-(4-methoxy-2-methyl-phen…

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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 12.02 -13.14 0 6 0 65 491.591 4 ↓
Lo Low (pH 4.5-6) 4.03 12.07 -38.07 1 6 1 66 492.599 4 ↓

Analogs

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Popular Name: (8R)-N-(4-methoxyphenyl)-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyr (8R)-N-(4-methoxyphenyl)-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) 4.68 9.65 -15.84 1 7 0 73 459.546 5 ↓
Lo Low (pH 4.5-6) 4.68 10.31 -40.65 2 7 1 74 460.554 5 ↓

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) 3.93 9.91 -23.92 0 7 0 86 458.58 7 ↓
Lo Low (pH 4.5-6) 3.93 10.23 -46.67 1 7 1 87 459.588 7 ↓

Analogs

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Popular Name: (8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-N-[(1S)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3- (8S)-6-(4-methoxy-2-methyl-pheny…

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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) 6.87 14.72 -13.77 1 6 0 64 533.672 5 ↓
Mid Mid (pH 6-8) 6.87 14.8 -38.97 2 6 1 65 534.68 5 ↓

Analogs

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Popular Name: (8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3- (8S)-6-(4-methoxy-2-methyl-pheny…

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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) 6.87 14.72 -13.44 1 6 0 64 533.672 5 ↓
Mid Mid (pH 6-8) 6.87 14.79 -39.48 2 6 1 65 534.68 5 ↓

Analogs

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Popular Name: (8R)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3- (8R)-6-(4-methoxy-2-methyl-pheny…

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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) 6.87 14.95 -13.51 1 6 0 64 533.672 5 ↓
Mid Mid (pH 6-8) 6.87 15.16 -39.11 2 6 1 65 534.68 5 ↓

Analogs

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Popular Name: cyclopropyl-[(8R)-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2- cyclopropyl-[(8R)-8-methyl-6-(ph…

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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) 3.46 9.32 -12.58 0 5 0 52 378.472 4 ↓
Lo Low (pH 4.5-6) 3.46 9.98 -36.3 1 5 1 53 379.48 4 ↓

Analogs

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Popular Name: 1-[(8R)-6-butyl-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]-2-(2-thienyl)eth 1-[(8R)-6-butyl-8-methyl-1,3,4,7…

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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) 4.26 10.38 -13.02 0 4 0 42 384.545 5 ↓
Mid Mid (pH 6-8) 4.26 10.69 -40.33 1 4 1 44 385.553 5 ↓

Analogs

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Popular Name: (8R)-8-methyl-6-phenyl-N-[(1S)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine- (8R)-8-methyl-6-phenyl-N-[(1S)-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) 5.21 11.61 -12.79 1 5 0 54 427.548 3 ↓
Lo Low (pH 4.5-6) 5.21 11.96 -34.8 2 5 1 56 428.556 3 ↓

Analogs

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Popular Name: (8R)-8-methyl-6-phenyl-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine- (8R)-8-methyl-6-phenyl-N-[(1R)-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) 5.21 11.61 -12.09 1 5 0 54 427.548 3 ↓
Lo Low (pH 4.5-6) 5.21 11.96 -34.64 2 5 1 56 428.556 3 ↓

Analogs

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Popular Name: (8S)-8-methyl-6-phenyl-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine- (8S)-8-methyl-6-phenyl-N-[(1R)-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) 5.21 11.63 -12.2 1 5 0 54 427.548 3 ↓
Lo Low (pH 4.5-6) 5.21 12 -34.55 2 5 1 56 428.556 3 ↓

Analogs

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Popular Name: (8R)-2-butylsulfonyl-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (8R)-2-butylsulfonyl-8-methyl-6-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 8.04 -11.65 0 5 0 60 400.544 5 ↓

Analogs

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Popular Name: (8S)-N-(3-cyanophenyl)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1, (8S)-N-(3-cyanophenyl)-6-(4-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) 5.79 14.01 -16.24 1 7 0 87 530.628 4 ↓
Mid Mid (pH 6-8) 5.79 14.25 -43.32 2 7 1 89 531.636 4 ↓

Analogs

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Popular Name: N-[4-[[(8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyri N-[4-[[(8S)-6-(4-methoxy-2-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) 4.83 10.84 -20.36 1 8 0 98 583.71 6 ↓

Analogs

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Popular Name: (8R)-N-(2-furylmethyl)-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyrid (8R)-N-(2-furylmethyl)-8-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) 4.13 8.65 -13.48 1 7 0 77 433.508 5 ↓
Lo Low (pH 4.5-6) 4.13 9.32 -36.84 2 7 1 78 434.516 5 ↓

Analogs

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Popular Name: (8R)-2-(3,5-dimethylisoxazol-4-yl)sulfonyl-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4 (8R)-2-(3,5-dimethylisoxazol-4-y…

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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) 3.04 7.19 -15.33 0 8 0 95 469.563 5 ↓

Analogs

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Popular Name: N-[4-[[(8R)-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]sul N-[4-[[(8R)-8-methyl-6-(phenoxym…

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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) 3.40 7.46 -20.08 1 8 0 98 507.612 6 ↓

Analogs

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Popular Name: (8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-2-(p-tolylsulfonyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][ (8S)-6-(4-methoxy-2-methyl-pheny…

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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) 6.06 12.58 -13.08 0 6 0 69 540.685 5 ↓

Analogs

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Popular Name: 2-furyl-[(8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthy 2-furyl-[(8S)-6-(4-methoxy-2-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) 5.00 12.27 -12.96 0 6 0 65 480.564 4 ↓
Mid Mid (pH 6-8) 5.00 12.3 -36.97 1 6 1 66 481.572 4 ↓

Analogs

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Popular Name: (8R)-N-(3-cyanophenyl)-8-methyl-6-(phenoxymethyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyrid (8R)-N-(3-cyanophenyl)-8-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) 4.35 10.76 -15.7 1 7 0 87 454.53 4 ↓
Lo Low (pH 4.5-6) 4.35 11.42 -41.18 2 7 1 89 455.538 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) 3.95 10 -15.96 1 8 0 90 467.566 9 ↓
Lo Low (pH 4.5-6) 3.95 10.66 -39.41 2 8 1 91 468.574 9 ↓

Analogs

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Popular Name: 1-[(8R)-6-butyl-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]-2-(3-methoxyphen 1-[(8R)-6-butyl-8-methyl-1,3,4,7…

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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) 4.39 10.54 -14.7 0 5 0 52 408.542 6 ↓
Mid Mid (pH 6-8) 4.39 10.86 -40.85 1 5 1 53 409.55 6 ↓

Analogs

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Popular Name: (8R)-8-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-6-phenyl-1,3,4,7,8,10-hexahydro (8R)-8-methyl-2-[(4-methyl-2,3-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) 3.91 8.52 -16.21 0 7 0 72 491.613 3 ↓

Analogs

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Popular Name: 2-methoxy-1-[(8R)-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]ethano 2-methoxy-1-[(8R)-8-methyl-6-phe…

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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) 2.36 8.21 -15.12 0 5 0 52 352.434 3 ↓
Lo Low (pH 4.5-6) 2.36 8.57 -38.25 1 5 1 53 353.442 3 ↓

Parameters Provided:

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