UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10617398
10617398
10617403
10617403

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Popular Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl (1,3-dimethyl-2,6-dioxo-pyrimidi…

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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) 3.71 12.53 -17.39 0 8 0 96 457.486 5 ↓

Analogs

20891735
20891735
21712114
21712114
21712147
21712147

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Popular Name: acetonyl acetonyl

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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 12.93 -17.27 0 6 0 75 431.488 7 ↓

Analogs

25424241
25424241
25424246
25424246

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Popular Name: acetonyl acetonyl

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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 13.03 -15.44 0 5 0 66 401.462 6 ↓

Analogs

21712147
21712147
20891676
20891676

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Popular Name: acetonyl acetonyl

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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 12.9 -18.52 0 7 0 84 461.514 8 ↓

Analogs

6455992
6455992

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Popular Name: acetonyl acetonyl

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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 12.13 -14.8 0 5 0 69 361.397 5 ↓

Analogs

21712136
21712136
16222634
16222634

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Popular Name: acetonyl acetonyl

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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) 4.79 14.37 -17.36 0 7 0 102 416.433 6 ↓

Analogs

20891938
20891938
6455992
6455992

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Popular Name: acetonyl acetonyl

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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 12.72 -14.77 0 5 0 69 375.424 5 ↓

Analogs

6455992
6455992

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Popular Name: acetonyl acetonyl

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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 12.72 -14.78 0 5 0 69 375.424 5 ↓

Analogs

20894077
20894077
20894502
20894502
20894505
20894505

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Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-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) 4.02 9.8 -21.18 2 7 0 101 446.503 7 ↓

Analogs

20894502
20894502
20894505
20894505
20894074
20894074

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Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-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) 4.02 9.76 -21.49 2 7 0 101 446.503 7 ↓

Analogs

20894293
20894293
13525249
13525249
13525253
13525253

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Popular Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] [(1R)-1-methyl-2-(methylcarbamoy…

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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) 4.34 12.5 -27.62 2 10 0 143 488.5 6 ↓

Analogs

20894290
20894290
13525249
13525249

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Popular Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] [(1S)-1-methyl-2-(methylcarbamoy…

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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) 4.34 12.5 -27.49 2 10 0 143 488.5 6 ↓

Analogs

20894299
20894299

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Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-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) 4.31 11.17 -23.13 2 8 0 128 431.448 6 ↓

Analogs

20894296
20894296

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Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-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) 4.31 11.2 -22.56 2 8 0 128 431.448 6 ↓

Analogs

20894305
20894305

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Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-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) 4.10 9.45 -17.53 2 5 0 82 392.48 5 ↓

Analogs

20894302
20894302

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Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-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) 4.10 9.49 -17.31 2 5 0 82 392.48 5 ↓

Analogs

20894505
20894505
20894074
20894074
20894077
20894077

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Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-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) 4.01 9.74 -21.88 2 8 0 110 476.529 8 ↓

Analogs

20894074
20894074
20894077
20894077
20894502
20894502

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Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-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) 4.01 9.7 -22.13 2 8 0 110 476.529 8 ↓

Analogs

20894511
20894511

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Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-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) 4.27 9.16 -19.94 2 7 0 101 430.46 5 ↓

Analogs

20894508
20894508

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Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-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) 4.27 9.2 -19.76 2 7 0 101 430.46 5 ↓

Analogs

20895441
20895441

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Popular Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] [(1R)-1-methyl-2-oxo-2-ureido-et…

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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) 3.11 8.77 -30.16 3 8 0 125 419.437 5 ↓

Analogs

20895438
20895438

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Popular Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] [(1S)-1-methyl-2-oxo-2-ureido-et…

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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) 3.11 8.83 -29.96 3 8 0 125 419.437 5 ↓

Analogs

20895451
20895451
6455992
6455992

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Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-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) 3.46 8.92 -18.43 2 6 0 95 376.412 5 ↓

Analogs

6455992
6455992

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Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-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) 3.46 8.96 -18.29 2 6 0 95 376.412 5 ↓

Analogs

22082653
22082653

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Popular Name: (4E)-N-[(1R)-2-methoxy-1-methyl-ethyl]-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxamide (4E)-N-[(1R)-2-methoxy-1-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) 4.68 9.19 -10.28 1 4 0 51 392.524 5 ↓

Analogs

22082649
22082649

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Popular Name: (4E)-N-[(1S)-2-methoxy-1-methyl-ethyl]-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxamide (4E)-N-[(1S)-2-methoxy-1-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) 4.68 9.19 -10.48 1 4 0 51 392.524 5 ↓

Analogs

12537547
12537547

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Popular Name: (2R,4E)-4-[[3-[(2-chlorobenzoyl)amino]phenyl]methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxyli (2R,4E)-4-[[3-[(2-chlorobenzoyl)…

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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) 6.75 14.12 -69.85 1 5 -1 82 481.959 4 ↓

Analogs

12537546
12537546

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Popular Name: (2S,4E)-4-[[3-[(2-chlorobenzoyl)amino]phenyl]methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxyli (2S,4E)-4-[[3-[(2-chlorobenzoyl)…

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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) 6.75 14.18 -69.71 1 5 -1 82 481.959 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] [2-(1-allyl-2,5-dimethyl-pyrrol-…

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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) 5.51 17.16 -15.11 0 6 0 74 480.564 8 ↓

Analogs

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Popular Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxo-ethyl] [2-[(2-methylsulfanylphenyl)amin…

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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 14.47 -15.36 1 6 0 81 484.577 7 ↓

Analogs

25390150
25390150
25424736
25424736

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Popular Name: [2-[(2-cyanophenyl)amino]-2-oxo-ethyl] [2-[(2-cyanophenyl)amino]-2-oxo-…

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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) 5.96 15.46 -14.95 1 6 0 92 491.522 6 ↓

Analogs

20794830
20794830
6379423
6379423
4469903
4469903

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Popular Name: (2-methylamino-2-oxo-ethyl) (2-methylamino-2-oxo-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) 3.47 9.73 -16.3 1 6 0 81 376.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2-methoxyphenyl)amino]-2-oxo-ethyl] [2-[(2-methoxyphenyl)amino]-2-ox…

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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) 6.26 14.45 -15.25 1 6 0 78 496.538 7 ↓

Analogs

21577355
21577355

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Popular Name: [2-[(2,4-difluorophenyl)amino]-2-oxo-ethyl] [2-[(2,4-difluorophenyl)amino]-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) 5.42 14.29 -15.32 1 6 0 81 474.463 6 ↓

Analogs

13014775
13014775
13014778
13014778
13014782
13014782

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Popular Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1S,2R)-2-methylcyclohexyl]…

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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) 5.61 14.53 -14.65 1 6 0 81 458.558 6 ↓

Analogs

13014778
13014778
13014782
13014782
13014772
13014772

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Popular Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1S,2S)-2-methylcyclohexyl]…

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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) 5.61 14.14 -15.22 1 6 0 81 458.558 6 ↓

Analogs

13014782
13014782
13014772
13014772

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Popular Name: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1R,2R)-2-methylcyclohexyl]…

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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) 5.61 14.11 -15.4 1 6 0 81 458.558 6 ↓

Analogs

13014772
13014772

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Popular Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1R,2S)-2-methylcyclohexyl]…

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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) 5.61 14.52 -14.88 1 6 0 81 458.558 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] [2-(1-ethylpropylamino)-2-oxo-et…

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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) 6.13 14.43 -14.36 1 5 0 68 442.559 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2,4-difluorophenyl)amino]-2-oxo-ethyl] [2-[(2,4-difluorophenyl)amino]-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) 6.34 15.11 -13.02 1 5 0 68 484.502 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2-chloroimidazo[3,2-a]pyridin-3-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic (4Z)-4-[(2-chloroimidazo[3,2-a]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) 5.25 12.51 -66.31 0 5 -1 70 388.834 2 ↓

Analogs

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Popular Name: (4Z)-4-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methylene]-2,3-dihydro-1H-acridine-9-carbox (4Z)-4-[[1-(2-cyanoethyl)-3-(4-f…

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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) 4.51 14.26 -59.92 0 6 -1 95 451.481 5 ↓

Analogs

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Popular Name: (4E)-4-[(2-methylimidazo[3,2-a]pyridin-3-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic (4E)-4-[(2-methylimidazo[3,2-a]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) 4.67 11.81 -60.65 0 5 -1 70 368.416 2 ↓
Mid Mid (pH 6-8) 4.67 12.22 -73.19 1 5 0 72 369.424 2 ↓

Analogs

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Popular Name: (4Z)-4-[[1-(2-cyanoethyl)-3-(3,4-difluorophenyl)pyrazol-4-yl]methylene]-2,3-dihydro-1H-acridine-9-ca (4Z)-4-[[1-(2-cyanoethyl)-3-(3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.61 14.29 -60.53 0 6 -1 95 469.471 5 ↓

Analogs

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Popular Name: (4E)-4-[[2-[acetyl-(3,4-dimethylphenyl)amino]thiazol-4-yl]methylene]-2,3-dihydro-1H-acridine-9-carbo (4E)-4-[[2-[acetyl-(3,4-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) 6.12 15.44 -69.69 0 6 -1 86 482.585 4 ↓

Analogs

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Popular Name: (4E)-4-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylic (4E)-4-[[4-(difluoromethoxy)-3,5…

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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) 5.21 10.56 -60.93 0 6 -1 81 440.422 6 ↓

Analogs

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Popular Name: (2R,4Z)-4-[(2-chloroimidazo[3,2-a]pyridin-3-yl)methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxy (2R,4Z)-4-[(2-chloroimidazo[3,2-…

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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) 5.48 13.13 -66.4 0 5 -1 70 402.861 2 ↓

Analogs

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Popular Name: (2S,4Z)-4-[(2-chloroimidazo[3,2-a]pyridin-3-yl)methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxy (2S,4Z)-4-[(2-chloroimidazo[3,2-…

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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) 5.48 13.41 -57.94 0 5 -1 70 402.861 2 ↓

Analogs

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Popular Name: (2R,4Z)-2-methyl-4-[(2-methylimidazo[3,2-a]pyridin-3-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxy (2R,4Z)-2-methyl-4-[(2-methylimi…

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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 13.56 -59.67 0 5 -1 70 382.443 2 ↓
Mid Mid (pH 6-8) 4.89 13.97 -70.55 1 5 0 72 383.451 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4Z)-2-methyl-4-[(2-methylimidazo[3,2-a]pyridin-3-yl)methylene]-2,3-dihydro-1H-acridine-9-carboxy (2S,4Z)-2-methyl-4-[(2-methylimi…

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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 13.58 -59.71 0 5 -1 70 382.443 2 ↓
Mid Mid (pH 6-8) 4.89 14 -70.39 1 5 0 72 383.451 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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