UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.13 1.88 -13.24 0 6 0 67 344.411 5 ↓

Analogs

12041175
12041175

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Popular Name: (2R)-6-(2,2-dimethylpropyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide (2R)-6-(2,2-dimethylpropyl)-N-(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) 4.06 -0.95 -45.66 2 4 1 46 372.558 4 ↓

Analogs

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Popular Name: 2-cyclopentyl-1-[4-[2-[3-[(methyl-(thiazol-4-ylmethyl)amino)methyl]phenoxy]ethyl]piperazin-1-yl]etha 2-cyclopentyl-1-[4-[2-[3-[(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) 3.64 11.24 -44.54 1 6 1 50 457.664 10 ↓
Hi High (pH 8-9.5) 3.64 8.84 -12.61 0 6 0 49 456.656 10 ↓

Analogs

11979885
11979885
11979891
11979891
12021045
12021045
12021051
12021051

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-3-(2-methylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2- 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) 2.04 1.84 -16.58 0 8 0 85 463.534 5 ↓

Analogs

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Popular Name: N-[1-[2-[4-(2-fluorophenoxy)-1-piperidyl]-2-oxo-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide N-[1-[2-[4-(2-fluorophenoxy)-1-p…

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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) 1.90 -0.47 -31.69 1 9 0 95 466.469 6 ↓

Analogs

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Popular Name: N-[(7-methoxy-2-pyrrolidin-1-yl-3-quinolyl)methyl]-2-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pro N-[(7-methoxy-2-pyrrolidin-1-yl-…

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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) 3.37 -0.54 -33.96 1 6 1 56 412.554 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) 3.95 1.27 -60.47 2 8 1 91 497.019 11 ↓

Analogs

12157833
12157833
12157840
12157840
12247603
12247603
12247604
12247604

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Popular Name: (5S)-5-[1-(2-cyclopentylacetyl)-4-piperidyl]-5-(3-pyridyl)-3-(3-thienylmethyl)imidazolidine-2,4-dion (5S)-5-[1-(2-cyclopentylacetyl)-…

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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 -1.7 -14.54 1 7 0 83 466.607 6 ↓
Lo Low (pH 4.5-6) 2.76 -1.59 -56.56 2 7 1 84 467.615 6 ↓

Analogs

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Popular Name: 3-(2,3-difluorobenzoyl)-9-methoxy-7-oxo-N-(3-thienylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diaz 3-(2,3-difluorobenzoyl)-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) 1.87 -0.93 -21.84 1 7 0 81 473.501 5 ↓

Analogs

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Popular Name: N-[2-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-y N-[2-[7-[(4-pyrrolidin-1-ylpheny…

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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) 1.59 7.34 -25.72 1 8 0 79 434.544 7 ↓

Analogs

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Popular Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-carbo 1-[4-(1,3-benzodioxol-5-yl)pyrim…

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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 -0.68 -20.83 1 9 0 100 469.501 7 ↓

Analogs

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Popular Name: 7-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazoli 7-chloro-2-[[4-(4-fluorophenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.21 8.16 -9.79 1 6 0 54 455.965 6 ↓

Analogs

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Popular Name: 1-[(3R)-1-[(5R)-3-[(4-fluorophenyl)methyl]4,5-dihydroisoxazole-5-carbonyl]-3-piperidyl]-3-methyl-but 1-[(3R)-1-[(5R)-3-[(4-fluorophen…

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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) 3.24 11.52 -24.62 0 5 0 59 374.456 6 ↓

Analogs

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Popular Name: 1-[(3R)-1-[(5S)-3-[(4-fluorophenyl)methyl]4,5-dihydroisoxazole-5-carbonyl]-3-piperidyl]-3-methyl-but 1-[(3R)-1-[(5S)-3-[(4-fluorophen…

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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) 3.24 11.51 -23.25 0 5 0 59 374.456 6 ↓

Analogs

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Popular Name: N-[2-(3-bromophenoxy)ethyl]ethane-1,2-diamine N-[2-(3-bromophenoxy)ethyl]ethan…

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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) 1.02 1.46 -44.05 4 3 1 49 260.155 6 ↓

Analogs

12099476
12099476

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanamide N-[(2,5-dimethoxyphenyl)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) 2.93 -0.68 -18.44 2 6 0 77 414.477 9 ↓

Analogs

12041286
12041286

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Popular Name: 2-phenoxy-N-[(1R)-1-[7-[(3,4,5-trimethoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1, 2-phenoxy-N-[(1R)-1-[7-[(3,4,5-t…

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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 0.89 -71.59 2 10 1 101 496.588 10 ↓

Analogs

12041677
12041677

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Popular Name: N-[[(2S)-8-[(4-isobutylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-pyrazole-3-ca N-[[(2S)-8-[(4-isobutylphenyl)me…

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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) 3.38 -0.49 -46.04 2 6 1 61 425.597 7 ↓

Analogs

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Popular Name: N-[2-[7-[(2-phenylthiazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]e N-[2-[7-[(2-phenylthiazol-5-yl)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) 3.80 10.07 -24.51 1 7 0 76 464.639 7 ↓

Analogs

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Popular Name: N-methyl-N-[(1R)-1-[1-(4-methyl-2-oxo-pentanoyl)-4-piperidyl]-2-(o-tolyl)ethyl]-2-pyrazol-1-yl-aceta N-methyl-N-[(1R)-1-[1-(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) 2.88 3.03 -20.87 0 7 0 76 452.599 9 ↓

Analogs

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Popular Name: (5S)-3-but-2-ynyl-5-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-piperidyl]-5-phenethyl-imidazolidin (5S)-3-but-2-ynyl-5-[1-[(1-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) 3.70 1.65 -52.3 2 7 1 72 462.618 8 ↓

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-BLAHyl-pyrazole-4-carboxamide N-[(2,4-dimethoxyphenyl)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) 3.85 0 -17.83 1 8 0 91 469.545 6 ↓

Analogs

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Popular Name: 3-[4-[[2-(m-tolyl)acetyl]amino]pyrazol-1-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide 3-[4-[[2-(m-tolyl)acetyl]amino]p…

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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) 2.65 -0.58 -25.01 2 8 0 102 440.507 7 ↓

Analogs

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Popular Name: 5-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methyl-pyra 5-ethyl-N-[[7-(3-methoxybenzoyl)…

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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) 1.51 -1.74 -19.15 1 8 0 89 447.539 6 ↓
Lo Low (pH 4.5-6) 1.51 -1.67 -57.95 2 8 1 91 448.547 6 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-N-methyl-1-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methan N-[(2-fluorophenyl)methyl]-N-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) 3.48 10.31 -16.39 0 5 0 43 386.496 9 ↓

Analogs

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Popular Name: 2-fluoro-N-[1-[2-[[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-oxo-ethyl]pyrazol-4-yl]benzami 2-fluoro-N-[1-[2-[[(2S)-2-hydrox…

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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 -3.49 -31.69 3 9 0 115 442.447 10 ↓

Analogs

12157833
12157833
12157840
12157840
12247603
12247603
12247604
12247604

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Popular Name: (5R)-5-[1-(2-cyclopentylacetyl)-4-piperidyl]-5-(3-pyridyl)-3-(3-thienylmethyl)imidazolidine-2,4-dion (5R)-5-[1-(2-cyclopentylacetyl)-…

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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 -1.5 -12.43 1 7 0 83 466.607 6 ↓
Lo Low (pH 4.5-6) 2.76 -1.38 -47.85 2 7 1 84 467.615 6 ↓

Analogs

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Popular Name: 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoic acid 2-chloro-5-({[(2E)-3-phenylprop-…

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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) 3.20 -1.75 -77.71 2 5 -1 81 359.814 6 ↓

Analogs

45617124
45617124
45617128
45617128
45617137
45617137
45617138
45617138

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Popular Name: 4-(3-ethylphenoxy)butyl-(3-methoxypropyl)ammonium 4-(3-ethylphenoxy)butyl-(3-metho…

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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 7.67 -43.54 2 3 1 35 266.405 11 ↓

Analogs

12052756
12052756
12052747
12052747
12052751
12052751

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Popular Name: (5S)-5-[3-[(3R)-3-(methoxymethyl)-1-piperidyl]-3-oxo-propyl]-5-[(4-methoxy-1-naphthyl)methyl]pyrroli (5S)-5-[3-[(3R)-3-(methoxymethyl…

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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) 3.50 -0.16 -17.54 1 6 0 68 438.568 8 ↓

Analogs

41685472
41685472

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Popular Name: 2-(4-isopropyl-3-methyl-phenoxy)ethyl-(3-methoxypropyl)ammonium 2-(4-isopropyl-3-methyl-phenoxy)…

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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 0.28 -40.84 2 3 1 35 266.405 9 ↓

Analogs

11814655
11814655
11814658
11814658

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Popular Name: 1-[3-(4-chlorophenoxy)phenyl]-N-methyl-N-[[5-methylsulfanyl-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1, 1-[3-(4-chlorophenoxy)phenyl]-N-…

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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 11.5 -14.6 0 6 0 52 459.015 9 ↓

Analogs

11814934
11814934
11814936
11814936
11814930
11814930

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Popular Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2 (3S)-1-(1,3-benzodioxol-5-ylmeth…

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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) 2.73 1.42 -19.84 0 8 0 81 485.54 5 ↓

Analogs

11814936
11814936
11814930
11814930
11814932
11814932

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Popular Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2 (3R)-1-(1,3-benzodioxol-5-ylmeth…

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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) 2.73 1.42 -21.72 0 8 0 81 485.54 5 ↓

Analogs

11814930
11814930
11814932
11814932

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Popular Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2 (3R)-1-(1,3-benzodioxol-5-ylmeth…

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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) 2.73 1.45 -21.06 0 8 0 81 485.54 5 ↓

Analogs

15008400
15008400

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Popular Name: 1-(4-tert-butylbenzoyl)-4-methyl-1,4-diazepan-5-one 1-(4-tert-butylbenzoyl)-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) 2.09 1.13 -12.53 0 4 0 41 288.391 2 ↓

Analogs

12041689
12041689
12041694
12041694
11814891
11814891

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Popular Name: N-ethyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin N-ethyl-1-(4-methyl-7-methylsulf…

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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) 2.44 -6.14 -23.74 0 8 0 93 460.6 6 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(4-fluoro-3-methoxy-phenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-[3-(3-pyridyloxy)propyl]propa 3-[(2R)-2-[(4-fluoro-3-methoxy-p…

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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 -1.77 -24.04 2 7 0 90 429.492 11 ↓
Lo Low (pH 4.5-6) 2.36 -1.66 -52.97 3 7 1 91 430.5 11 ↓

Analogs

11814875
11814875

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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) 4.08 -0.23 -19.43 2 6 0 85 444.531 9 ↓

Analogs

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Popular Name: N-[[3-methoxy-4-(2-pyridylmethoxy)phenyl]methyl]-3-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiop N-[[3-methoxy-4-(2-pyridylmethox…

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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) 3.50 0.05 -14.05 0 6 0 61 452.576 9 ↓
Lo Low (pH 4.5-6) 3.50 0.11 -38.9 1 6 1 62 453.584 9 ↓

Analogs

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Popular Name: N-[[3-methoxy-4-(2-pyridylmethoxy)phenyl]methyl]-3-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiop N-[[3-methoxy-4-(2-pyridylmethox…

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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) 3.50 0.5 -15.72 0 6 0 61 452.576 9 ↓
Lo Low (pH 4.5-6) 3.50 0.56 -45.22 1 6 1 62 453.584 9 ↓

Analogs

11814601
11814601
11814604
11814604

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Popular Name: (3R)-1-cyclopentyl-3-(3-fluorophenyl)-3-[2-[4-[(R)-hydroxy-(2-thienyl)methyl]-1-piperidyl]-2-oxo-eth (3R)-1-cyclopentyl-3-(3-fluoroph…

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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) 3.43 -0.76 -21.91 1 6 0 78 498.62 6 ↓

Analogs

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Popular Name: (7R)-7-[(3-chlorophenyl)methylamino]-3-[(1R)-1-(2-methylthiazol-4-yl)ethyl]-5,6,7,8-tetrahydrobenzot (7R)-7-[(3-chlorophenyl)methylam…

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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 11.18 -10.87 1 5 0 60 471.051 5 ↓

Analogs

23337697
23337697
11814769
11814769
12247135
12247135

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Popular Name: 3-(4-benzylpiperazine-1-carbonyl)-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methyl-pyridin-4-one 3-(4-benzylpiperazine-1-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) 3.07 10.64 -21.89 0 6 0 55 451.611 8 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl 3-[(2R)-2-[(4-chlorophenyl)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) 3.44 7.71 -22.12 3 7 0 96 454.958 9 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl 3-[(2S)-2-[(4-chlorophenyl)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) 3.44 7.67 -24.44 3 7 0 96 454.958 9 ↓

Analogs

39379683
39379683
11785641
11785641

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Popular Name: (3S)-1-[1,3-dioxo-2-[(1R)-1-thiazol-2-ylethyl]isoindolin-4-yl]-N-methyl-N-phenethyl-piperidine-3-car (3S)-1-[1,3-dioxo-2-[(1R)-1-thia…

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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 13.32 -21.9 0 7 0 76 502.64 7 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-(6-hydroxypyridine-3-carbonyl)-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-methoxy N-[(1R,2R)-1'-(6-hydroxypyridine…

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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) 2.98 -3.95 -20.06 2 8 0 101 487.556 5 ↓

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) 3.79 0.3 -20.67 1 8 0 94 488.588 7 ↓

Analogs

11973041
11973041

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Popular Name: 2-ethyl-N-[[5-methyl-2-[3-(3-methylbutanoylamino)phenyl]oxazol-4-yl]methyl]butanamide 2-ethyl-N-[[5-methyl-2-[3-(3-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) 4.42 -2.09 -16.38 2 6 0 84 385.508 9 ↓

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