UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20935247
20935247

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Popular Name: (5R)-3-[[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyleneamino]-5-(4-methoxyphenyl)-5-meth (5R)-3-[[(1R,5S)-7,7-dimethyl-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) 3.72 7.68 -11.2 1 6 0 71 367.449 4 ↓

Analogs

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Popular Name: N-[2-[7-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazol N-[2-[7-[[(1S,5R)-7,7-dimethyl-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) 3.93 -0.21 -62.36 2 6 1 64 426.629 6 ↓

Analogs

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Popular Name: 2-[[(2R)-3-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-2-hydroxy-propyl]-methyl-amin 2-[[(2R)-3-[[(1S,5R)-7,7-dimethy…

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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) 1.89 4.29 -40.51 3 6 1 72 355.499 11 ↓
Hi High (pH 8-9.5) 1.89 2.06 -10.98 2 6 0 71 354.491 11 ↓

Analogs

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Popular Name: 2-[[(2R)-3-[[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-2-hydroxy-propyl]-methyl-amin 2-[[(2R)-3-[[(1R,5S)-7,7-dimethy…

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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) 1.89 4.29 -40.43 3 6 1 72 355.499 11 ↓
Hi High (pH 8-9.5) 1.89 2.06 -11 2 6 0 71 354.491 11 ↓

Analogs

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Popular Name: N-allyl-2-[4-[(2R)-3-[[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-2-hydroxy-propyl]pi N-allyl-2-[4-[(2R)-3-[[(1R,5S)-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) 2.45 3.07 -10.99 2 6 0 65 391.556 10 ↓
Mid Mid (pH 6-8) 2.45 5.32 -41.06 3 6 1 66 392.564 10 ↓

Analogs

34948906
34948906
34948908
34948908

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Popular Name: 1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-(2-methoxyethyl)-1,4-diazepan-5-one 1-[[(1S,5R)-7,7-dimethyl-4-bicyc…

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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) 2.43 1.02 -48.87 1 4 1 34 307.458 5 ↓

Analogs

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Popular Name: N-[[4-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethoxy]-3-methoxy-phenyl]methyl]-2-methox N-[[4-[2-[(1S,5R)-7,7-dimethyl-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) 3.59 0.63 -24.35 1 7 0 77 484.637 10 ↓

Analogs

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Popular Name: N-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]-5-(5-isoquinolyloxymethyl)isoxazole-3- N-[2-[(1S,5R)-7,7-dimethyl-4-bic…

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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) 4.70 0.11 -12 1 6 0 77 417.509 7 ↓

Analogs

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Popular Name: N-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]-2-[[1-(2-methoxyacetyl)-4-piperidyl]ox N-[2-[(1S,5R)-7,7-dimethyl-4-bic…

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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) 3.57 -0.02 -21.79 1 6 0 68 440.584 8 ↓

Analogs

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Popular Name: [1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-[(4-methoxyphenyl)methyl]-4-piperidy [1-[[(1S,5R)-7,7-dimethyl-4-bicy…

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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) 4.67 10.51 -40.07 2 3 1 34 370.557 6 ↓

Analogs

11973666
11973666

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Popular Name: (5S)-5-[1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-piperidyl]-5-[(3-methoxypheny (5S)-5-[1-[[(1S,5R)-7,7-dimethyl…

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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) 4.49 1.05 -53.31 2 6 1 63 452.619 6 ↓

Analogs

11973663
11973663

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Popular Name: (5R)-5-[1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-piperidyl]-5-[(3-methoxypheny (5R)-5-[1-[[(1S,5R)-7,7-dimethyl…

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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) 4.49 0.91 -51.45 2 6 1 63 452.619 6 ↓

Analogs

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Popular Name: N-[[7-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[ N-[[7-[[(1S,5R)-7,7-dimethyl-4-b…

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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 0.82 -63.01 2 6 1 64 424.544 5 ↓

Analogs

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Popular Name: N-[[7-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[ N-[[7-[[(1S,5R)-7,7-dimethyl-4-b…

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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) 1.78 -0.88 -58.2 2 7 1 77 407.542 5 ↓

Analogs

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Popular Name: [(2S,4R)-1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-(4,6-dimethylpyrimidin-2-yl) [(2S,4R)-1-[[(1S,5R)-7,7-dimethy…

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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) 4.42 1.09 -94.02 2 6 2 55 485.742 5 ↓

Analogs

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Popular Name: N-[[7-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[ N-[[7-[[(1S,5R)-7,7-dimethyl-4-b…

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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 0.81 -62.72 2 6 1 64 438.571 6 ↓

Analogs

12049374
12049374

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Popular Name: 1-[1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-piperidyl]-N-(2-hydroxyethyl)triaz 1-[1-[[(1S,5R)-7,7-dimethyl-4-bi…

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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) 1.69 -2.73 -52.96 3 7 1 84 374.509 6 ↓

Analogs

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Popular Name: N'-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]-N-methyl-4-oxo-1-phenethyl-pyridine-3 N'-[2-[(1S,5R)-7,7-dimethyl-4-bi…

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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) 3.41 0.53 -46.57 2 6 0 80 447.579 8 ↓

Analogs

11997255
11997255

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Popular Name: N-[[(3S)-8-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-oxa-8-azaspiro[4.5]decan-3-y N-[[(3S)-8-[[(1S,5R)-7,7-dimethy…

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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 -0.64 -45.06 2 6 1 61 427.613 5 ↓

Analogs

11997250
11997250

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Popular Name: N-[[(3R)-8-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-oxa-8-azaspiro[4.5]decan-3-y N-[[(3R)-8-[[(1S,5R)-7,7-dimethy…

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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 -0.67 -46.65 2 6 1 61 427.613 5 ↓

Analogs

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Popular Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-N- (2S,4R)-N-(benzothiophen-2-ylmet…

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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) 5.98 -0.23 -39.62 1 5 1 51 519.76 7 ↓

Analogs

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Popular Name: N-[[7-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[ N-[[7-[[(1S,5R)-7,7-dimethyl-4-b…

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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) 2.33 -0.63 -61.74 2 7 1 77 435.596 7 ↓

Analogs

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Popular Name: N-[1-[2-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethylamino]-2-oxo-ethyl]pyrazol-4-yl]th N-[1-[2-[2-[(1S,5R)-7,7-dimethyl…

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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 -1.4 -25.12 2 6 0 76 398.532 7 ↓

Analogs

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Popular Name: N-[2-[1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-piperidyl]pyrazol-3-yl]-3-methy N-[2-[1-[[(1S,5R)-7,7-dimethyl-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) 4.38 1.83 -50.99 2 5 1 51 385.576 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) 3.99 -3.01 -61.42 1 6 1 68 465.661 6 ↓

Analogs

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Popular Name: [2-[[1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-piperidyl]oxy]phenyl]-pyrrolidin [2-[[1-[[(1S,5R)-7,7-dimethyl-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) 4.17 1.28 -47 1 4 1 34 409.594 5 ↓

Analogs

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Popular Name: N-[2-[7-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazol N-[2-[7-[[(1S,5R)-7,7-dimethyl-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) 3.81 0.51 -63.31 2 6 1 64 434.608 6 ↓

Analogs

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Popular Name: 3-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-9-methoxy-N-[(3-methoxyphenyl)methyl]-7 3-[[(1S,5R)-7,7-dimethyl-4-bicyc…

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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 -0.36 -64.8 2 7 1 74 492.64 7 ↓

Analogs

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Popular Name: N-[2-[7-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazol N-[2-[7-[[(1S,5R)-7,7-dimethyl-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) 3.61 0.92 -66.76 2 6 1 64 452.598 7 ↓

Analogs

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Popular Name: N-[[4-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethoxy]-3-methoxy-phenyl]methyl]-N-[(3S)- N-[[4-[2-[(1S,5R)-7,7-dimethyl-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) 4.47 -0.12 -15.23 1 6 0 68 480.649 9 ↓

Analogs

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Popular Name: 1-benzyl-N-cyclopropyl-N'-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]-4-oxo-pyridine 1-benzyl-N-cyclopropyl-N'-[2-[(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) 3.57 0.22 -46.77 2 6 0 80 459.59 8 ↓

Analogs

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Popular Name: N-[[4-(3-chlorophenyl)-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-[(1S,5R)-7,7-dimethy N-[[4-(3-chlorophenyl)-5-(4-pyri…

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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) 5.35 2.48 -43.59 1 5 1 48 481.089 8 ↓

Analogs

12213751
12213751

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Popular Name: N-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]-3-[(2R)-5-oxo-2-(3-thienylmethyl)pyrro N-[2-[(1S,5R)-7,7-dimethyl-4-bic…

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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) 3.81 -2 -14.82 2 4 0 58 400.588 8 ↓

Analogs

12213747
12213747

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Popular Name: N-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]-3-[(2S)-5-oxo-2-(3-thienylmethyl)pyrro N-[2-[(1S,5R)-7,7-dimethyl-4-bic…

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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) 3.81 -2.03 -14.54 2 4 0 58 400.588 8 ↓

Analogs

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Popular Name: 1-[(4aR,8aS)-1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-2,3,4,4a,5,7,8,8a-octahydr 1-[(4aR,8aS)-1-[[(1S,5R)-7,7-dim…

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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 2.07 -48 1 3 1 25 393.595 4 ↓

Analogs

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Popular Name: 1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepa 1-[[(1S,5R)-7,7-dimethyl-4-bicyc…

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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 1.78 -54.58 1 4 1 34 369.529 5 ↓

Analogs

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Popular Name: 4-[4-[2-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethylamino]-1-piperidyl]-N-(3-pyridylmethy 4-[4-[2-[(1S,5R)-7,7-dimethyl-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) 4.46 -3.74 -54.21 3 5 1 62 459.658 8 ↓

Analogs

15276199
15276199
34577825
34577825
34577828
34577828
34577834
34577834
34577836
34577836

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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) 4.74 -0.76 -11.9 1 5 0 72 431.476 8 ↓

Analogs

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Popular Name: (2S,4S)-4-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methylamino]-1-isopropyl-N-methyl-pyrro (2S,4S)-4-[[(1S,5R)-7,7-dimethyl…

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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) 2.63 6.45 -33.68 3 4 1 46 320.501 5 ↓
Lo Low (pH 4.5-6) 2.63 7.7 -124.42 4 4 2 50 321.509 5 ↓

Analogs

35504109
35504109
12529155
12529155

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Popular Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]metho (2R)-1-[4-(3-chlorophenyl)pipera…

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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 7.21 -6.25 1 4 0 36 404.982 7 ↓

Analogs

25462228
25462228

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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) 2.64 5.25 -8.8 1 6 0 62 366.502 8 ↓

Analogs

25462222
25462222

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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) 2.64 5.23 -9.16 1 6 0 62 366.502 8 ↓

Analogs

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Popular Name: (2R)-1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-3-[4-(4-methoxyphenyl)piperazin-1 (2R)-1-[[(1S,5R)-7,7-dimethyl-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) 3.95 7.02 -7.45 1 5 0 45 400.563 8 ↓
Mid Mid (pH 6-8) 3.95 9.25 -43.65 2 5 1 46 401.571 8 ↓

Analogs

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Popular Name: (2R)-1-[[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-3-[4-(4-methoxyphenyl)piperazin-1 (2R)-1-[[(1R,5S)-7,7-dimethyl-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) 3.95 6.92 -7.39 1 5 0 45 400.563 8 ↓
Mid Mid (pH 6-8) 3.95 9.2 -43.65 2 5 1 46 401.571 8 ↓

Analogs

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Popular Name: 4-[(Z)-[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyleneamino]-5-ethyl-1,2,4-triazole-3-th 4-[(Z)-[(1S,5R)-7,7-dimethyl-4-b…

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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) 3.29 8.54 -51.02 0 4 -1 43 275.401 3 ↓
Mid Mid (pH 6-8) 2.57 8.55 -9.81 1 4 0 46 276.409 3 ↓

Analogs

60247730
60247730
60247732
60247732

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Popular Name: alpha-Bergamotene alpha-Bergamotene

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.45 10.08 -0.61 0 0 0 0 204.357 3 ↓

Analogs

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Popular Name: (2R)-1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-3-(N-methylanilino)propan-2-ol (2R)-1-[[(1S,5R)-7,7-dimethyl-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) 4.00 8.57 -6.42 1 3 0 33 315.457 7 ↓

Analogs

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Popular Name: (2R)-1-[[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-3-(N-methylanilino)propan-2-ol (2R)-1-[[(1R,5S)-7,7-dimethyl-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) 4.00 8.58 -6.44 1 3 0 33 315.457 7 ↓

Analogs

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Popular Name: N-[(E)-[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyleneamino]-1-methyl-pyrrole-2-carboxam N-[(E)-[(1R,5S)-7,7-dimethyl-4-b…

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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) 2.81 7.9 -10.86 1 4 0 46 271.364 3 ↓

Analogs

33686964
33686964

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Popular Name: N'-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyleneamino]-N-phenethyl-1-sulfanyl-formami N'-[[(1S,5R)-7,7-dimethyl-4-bicy…

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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 11.54 -9.99 2 3 0 36 327.497 7 ↓

Parameters Provided:

ring.id = 1586
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 = 1586 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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