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Popular Name: BRD-K01797804-001-02-9 BRD-K01797804-001-02-9

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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) 3.60 4.91 -21.05 2 10 0 133 605.71 9 ↓
Mid Mid (pH 6-8) 3.60 4.94 -49.13 1 10 -1 135 604.702 9 ↓

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Popular Name: BRD-K46805838-001-02-7 BRD-K46805838-001-02-7

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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) 2.63 10.65 -83.94 3 11 1 127 577.493 9 ↓
Mid Mid (pH 6-8) 2.63 8.62 -35.1 2 11 0 126 576.485 9 ↓

Analogs

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Popular Name: BRD-K36318598-001-02-3 BRD-K36318598-001-02-3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 10.25 -91.44 3 10 0 141 599.681 10 ↓
Hi High (pH 8-9.5) 3.98 10.06 -98.37 1 10 -2 141 597.665 10 ↓
Hi High (pH 8-9.5) 3.98 8.38 -67.51 2 10 -1 139 598.673 10 ↓

Analogs

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Popular Name: BRD-K93100014-001-01-3 BRD-K93100014-001-01-3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 1.81 -55.89 1 11 -1 145 554.667 9 ↓
Lo Low (pH 4.5-6) 1.93 1.72 -20.86 2 11 0 143 555.675 9 ↓

Analogs

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Popular Name: N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-met N-[(2S,3S)-2-[[(4-fluorophenyl)s…

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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 9.41 -18.96 2 9 0 116 583.682 9 ↓

Analogs

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Popular Name: 1-[[(2S,3S)-8-(benzenesulfonamido)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1 1-[[(2S,3S)-8-(benzenesulfonamid…

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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) 3.76 6.59 -29.87 3 12 0 147 610.689 8 ↓
Hi High (pH 8-9.5) 3.76 6.63 -66.89 2 12 -1 149 609.681 8 ↓

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Popular Name: BRD-K43140358-001-02-2 BRD-K43140358-001-02-2

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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) 4.61 8.67 -21.51 3 10 0 128 572.728 8 ↓
Hi High (pH 8-9.5) 4.61 7.44 -47.66 2 10 -1 130 571.72 8 ↓

Analogs

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Popular Name: BRD-K17705599-001-02-3 BRD-K17705599-001-02-3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.06 5.61 -36.23 4 14 0 168 608.652 7 ↓

Analogs

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Popular Name: BRD-K31715322-001-02-8 BRD-K31715322-001-02-8

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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) 2.61 7.9 -60.34 3 9 1 113 539.678 9 ↓
Hi High (pH 8-9.5) 2.61 6.32 -53.84 1 9 -1 114 537.662 9 ↓
Mid Mid (pH 6-8) 2.61 6.46 -18.33 2 9 0 112 538.67 9 ↓

Analogs

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Popular Name: BRD-K91152918-001-02-1 BRD-K91152918-001-02-1

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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) 3.87 7.33 -29.85 3 10 0 128 566.68 8 ↓

Analogs

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Popular Name: N-[(2S,3S)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-2-[[(4-methoxyphenyl)carbamoyl-methyl-amino]methyl]-3-m N-[(2S,3S)-5-[(1R)-2-hydroxy-1-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) 4.12 10.73 -25.37 3 10 0 120 574.678 9 ↓

Analogs

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Popular Name: BRD-K17750538-001-02-3 BRD-K17750538-001-02-3

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.71 9.77 -23.83 4 10 0 123 579.62 8 ↓

Analogs

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Popular Name: BRD-K76427066-001-02-6 BRD-K76427066-001-02-6

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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) 1.70 3.68 -47.76 1 12 -1 153 596.733 9 ↓
Lo Low (pH 4.5-6) 1.70 4.85 -25.04 2 12 0 151 597.741 9 ↓

Analogs

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Popular Name: BRD-K44923001-001-02-1 BRD-K44923001-001-02-1

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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) 3.35 7.6 -31.33 4 11 0 132 541.649 8 ↓

Analogs

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Popular Name: BRD-K44384659-001-02-1 BRD-K44384659-001-02-1

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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) 3.31 6.92 -27.51 2 9 0 116 571.618 10 ↓

Analogs

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Popular Name: BRD-K00267266-001-02-5 BRD-K00267266-001-02-5

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 4.05 -21.7 2 10 0 133 611.739 9 ↓
Mid Mid (pH 6-8) 3.54 4.06 -48.8 1 10 -1 135 610.731 9 ↓

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Popular Name: BRD-K32618800-001-02-4 BRD-K32618800-001-02-4

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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) 3.85 6.96 -16.75 3 11 0 138 602.735 9 ↓

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Popular Name: BRD-K44636139-001-02-4 BRD-K44636139-001-02-4

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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) 4.22 8.66 -15.31 3 10 0 128 590.718 8 ↓

Analogs

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Popular Name: BRD-K46291400-001-02-8 BRD-K46291400-001-02-8

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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) 2.88 6.61 -28.47 2 9 0 116 533.622 8 ↓

Analogs

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Popular Name: BRD-K13463692-001-02-9 BRD-K13463692-001-02-9

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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 11.79 -61.92 3 7 1 83 535.492 8 ↓
Mid Mid (pH 6-8) 4.47 10.03 -14.43 2 7 0 82 534.484 8 ↓

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Popular Name: BRD-K17990531-001-01-4 BRD-K17990531-001-01-4

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 8.63 -62.97 4 11 1 127 562.647 8 ↓
Mid Mid (pH 6-8) 2.96 6.63 -23.19 3 11 0 125 561.639 8 ↓

Analogs

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Popular Name: BRD-K06890177-001-02-6 BRD-K06890177-001-02-6

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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) 3.60 4.9 -22.05 2 10 0 133 605.71 9 ↓
Hi High (pH 8-9.5) 3.60 4.95 -58.7 1 10 -1 135 604.702 9 ↓

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Popular Name: BRD-K58435764-001-02-6 BRD-K58435764-001-02-6

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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) 3.17 8.32 -27.36 4 12 0 149 564.643 7 ↓

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Popular Name: BRD-K90037422-001-02-4 BRD-K90037422-001-02-4

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 7.4 -46.39 3 12 0 149 570.672 8 ↓

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Popular Name: BRD-K02920722-001-02-5 BRD-K02920722-001-02-5

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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) 4.49 11.34 -59.64 3 9 1 105 595.72 10 ↓
Hi High (pH 8-9.5) 4.49 10.56 -16.19 2 9 0 104 594.712 10 ↓

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Popular Name: BRD-K35892311-001-01-6 BRD-K35892311-001-01-6

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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) 5.35 10.35 -61.72 3 8 1 100 625.57 9 ↓
Hi High (pH 8-9.5) 5.35 10.62 -46.94 1 8 -1 101 623.554 9 ↓
Mid Mid (pH 6-8) 5.35 10.09 -65.47 2 8 0 102 624.562 9 ↓

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Popular Name: BRD-K86770174-001-02-6 BRD-K86770174-001-02-6

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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) 3.38 3.96 -22.33 2 10 0 133 593.749 9 ↓
Hi High (pH 8-9.5) 3.38 3.99 -54.73 1 10 -1 135 592.741 9 ↓

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Popular Name: BRD-K50323143-001-01-6 BRD-K50323143-001-01-6

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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) 5.31 12.48 -23.87 3 9 0 111 542.721 7 ↓

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Popular Name: BRD-K17260199-001-01-5 BRD-K17260199-001-01-5

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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) 0.22 1.95 -56 2 12 0 154 529.641 8 ↓

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Popular Name: BRD-K86951121-001-01-8 BRD-K86951121-001-01-8

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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) 2.49 6.6 -30.46 3 12 0 133 597.713 10 ↓
Mid Mid (pH 6-8) 2.49 8.87 -63.07 4 12 1 134 598.721 10 ↓

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Popular Name: BRD-K25158152-001-02-4 BRD-K25158152-001-02-4

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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) 3.74 7.3 -16.91 3 12 0 147 610.689 8 ↓

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Popular Name: BRD-K75339011-001-02-0 BRD-K75339011-001-02-0

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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) 4.58 6.77 -64.31 2 10 -1 130 577.749 8 ↓
Lo Low (pH 4.5-6) 4.58 6.75 -25.03 3 10 0 128 578.757 8 ↓

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Popular Name: BRD-K45582470-001-02-6 BRD-K45582470-001-02-6

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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) 5.13 9.49 -62.18 2 8 0 102 612.601 9 ↓
Mid Mid (pH 6-8) 5.13 9.28 -50.61 1 8 -1 101 611.593 9 ↓
Lo Low (pH 4.5-6) 5.13 9.62 -58.16 3 8 1 100 613.609 9 ↓

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Popular Name: BRD-K72683834-001-02-9 BRD-K72683834-001-02-9

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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) 2.21 4.04 -17.82 3 12 0 147 548.618 7 ↓

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Popular Name: BRD-K89637438-001-02-6 BRD-K89637438-001-02-6

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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) 3.64 8.66 -34.39 3 11 0 130 594.587 9 ↓

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Popular Name: BRD-K79471546-001-02-1 BRD-K79471546-001-02-1

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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) 4.94 13.72 -61.48 3 8 1 93 558.699 10 ↓
Hi High (pH 8-9.5) 4.94 12.78 -15.32 2 8 0 91 557.691 10 ↓

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Popular Name: BRD-K45318371-001-02-5 BRD-K45318371-001-02-5

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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) 5.45 11.16 -14.14 3 9 0 111 604.67 8 ↓

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Popular Name: BRD-K02145682-001-02-7 BRD-K02145682-001-02-7

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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) 4.52 10.21 -34.45 4 10 0 123 551.688 7 ↓

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Popular Name: BRD-K13083503-001-02-4 BRD-K13083503-001-02-4

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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) 4.02 10.88 -66.46 3 8 1 96 572.513 8 ↓
Mid Mid (pH 6-8) 4.02 10.71 -15.02 2 8 0 95 571.505 8 ↓

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Popular Name: BRD-K71786478-001-02-2 BRD-K71786478-001-02-2

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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) 3.04 7.2 -29.15 4 14 0 168 608.652 7 ↓

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Popular Name: BRD-K83259206-001-02-5 BRD-K83259206-001-02-5

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 10.41 -110.91 3 13 0 167 551.604 10 ↓
Hi High (pH 8-9.5) 1.25 8.05 -79.74 2 13 -1 166 550.596 10 ↓

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Popular Name: BRD-K54113629-001-02-8 BRD-K54113629-001-02-8

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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) 2.29 3.92 -50.34 1 12 -1 161 605.715 9 ↓
Lo Low (pH 4.5-6) 2.29 3.85 -26.65 2 12 0 159 606.723 9 ↓

Analogs

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Popular Name: BRD-K14292076-001-02-7 BRD-K14292076-001-02-7

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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) 2.08 6.06 -48.56 3 14 0 168 614.681 8 ↓

Analogs

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Popular Name: BRD-K10094393-001-01-9 BRD-K10094393-001-01-9

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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 8.61 -66.38 4 12 1 140 580.662 8 ↓
Hi High (pH 8-9.5) 3.11 6.57 -21.66 3 12 0 139 579.654 8 ↓

Analogs

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Popular Name: BRD-K46903038-001-01-0 BRD-K46903038-001-01-0

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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) 4.12 9.54 -61.05 2 9 0 112 567.708 10 ↓
Hi High (pH 8-9.5) 4.12 7.68 -49.35 1 9 -1 110 566.7 10 ↓
Lo Low (pH 4.5-6) 4.12 9.5 -59.99 3 9 1 110 568.716 10 ↓

Analogs

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Popular Name: BRD-K02403989-001-01-2 BRD-K02403989-001-01-2

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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) 3.43 8.55 -26.25 3 11 0 137 555.676 7 ↓

Analogs

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Popular Name: BRD-K91867126-001-01-4 BRD-K91867126-001-01-4

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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) 3.01 5.37 -27.86 3 10 0 128 550.653 8 ↓

Analogs

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Popular Name: N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-m N-[(2S,3S)-2-[[1,3-benzodioxol-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) 4.01 11.85 -65.95 3 9 1 102 560.671 9 ↓
Hi High (pH 8-9.5) 4.01 10.28 -17.14 2 9 0 101 559.663 9 ↓

Analogs

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Popular Name: BRD-K82471733-001-01-1 BRD-K82471733-001-01-1

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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) 4.77 9.25 -80 2 8 0 102 611.708 10 ↓
Mid Mid (pH 6-8) 4.77 7.2 -56.34 1 8 -1 101 610.7 10 ↓
Lo Low (pH 4.5-6) 4.77 9.14 -65.21 3 8 1 100 612.716 10 ↓

Analogs

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Popular Name: BRD-K99573013-001-02-4 BRD-K99573013-001-02-4

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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) 4.34 10.11 -27.4 4 11 0 132 575.666 8 ↓

Parameters Provided:

ring.id = 471415
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 = 471415 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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