|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
0.12 |
-1.51 |
-14.89 |
2 |
7 |
0 |
85 |
254.29 |
4 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
0.12 |
-2.51 |
-12.78 |
2 |
7 |
0 |
85 |
254.29 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
0.12 |
-1.36 |
-14.83 |
2 |
7 |
0 |
85 |
254.29 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(4R,5R)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione
(4R,5R)-8-[(5-amino-1H-1,2,4-tri…
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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)
|
-1.01 |
1.77 |
-49.8 |
2 |
10 |
-1 |
122 |
309.335 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-1.01 |
2.1 |
-15.95 |
3 |
10 |
0 |
124 |
310.343 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(4S,5R)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione
(4S,5R)-8-[(5-amino-1H-1,2,4-tri…
Find On:
PubMed —
Wikipedia —
Google
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)
|
-1.01 |
2.6 |
-53.28 |
2 |
10 |
-1 |
122 |
309.335 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-1.01 |
2.92 |
-18.03 |
3 |
10 |
0 |
124 |
310.343 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(4R,5S)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione
(4R,5S)-8-[(5-amino-1H-1,2,4-tri…
Find On:
PubMed —
Wikipedia —
Google
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)
|
-1.01 |
2.6 |
-53.55 |
2 |
10 |
-1 |
122 |
309.335 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-1.01 |
2.92 |
-18.11 |
3 |
10 |
0 |
124 |
310.343 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(4S,5S)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione
(4S,5S)-8-[(5-amino-1H-1,2,4-tri…
Find On:
PubMed —
Wikipedia —
Google
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)
|
-1.01 |
1.73 |
-49.83 |
2 |
10 |
-1 |
122 |
309.335 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-1.01 |
2.06 |
-16.05 |
3 |
10 |
0 |
124 |
310.343 |
2 |
↓
|
|