|
Analogs
-
43946970
-
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)
|
4.51 |
7.71 |
-1.58 |
0 |
1 |
0 |
9 |
196.334 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[[(1S,2S,4R)-1,3,3-trimethylnorbor
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
7.26 |
12.93 |
-41.29 |
3 |
4 |
1 |
59 |
432.698 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
7.08 |
11.72 |
-32.24 |
2 |
4 |
0 |
65 |
431.69 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[[(1R,2S,4S)-1,3,3-trimethylnorbor
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
7.26 |
12.93 |
-42.33 |
3 |
4 |
1 |
59 |
432.698 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
7.08 |
11.71 |
-32.48 |
2 |
4 |
0 |
65 |
431.69 |
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)
|
3.79 |
7.16 |
-25.48 |
2 |
3 |
1 |
31 |
262.421 |
0 |
↓
|
Lo
Low (pH 4.5-6)
|
3.79 |
8.07 |
-48.54 |
2 |
3 |
1 |
34 |
262.421 |
0 |
↓
|
|
|
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)
|
8.67 |
15.2 |
-51.89 |
1 |
7 |
-1 |
98 |
572.865 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
8.67 |
15.28 |
-19.98 |
2 |
7 |
0 |
96 |
573.873 |
5 |
↓
|
|
|
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)
|
8.67 |
15.2 |
-51.51 |
1 |
7 |
-1 |
98 |
572.865 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
8.67 |
15.28 |
-19.42 |
2 |
7 |
0 |
96 |
573.873 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5S)-2-[(N'E)-N'-[(2R)-2-methylcy
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
8.79 |
15.74 |
-52.06 |
1 |
7 |
-1 |
98 |
586.892 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
8.79 |
15.82 |
-19.65 |
2 |
7 |
0 |
96 |
587.9 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5S)-2-[(N'E)-N'-[(2S)-2-methylcy
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
8.79 |
15.66 |
-52.1 |
1 |
7 |
-1 |
98 |
586.892 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
8.79 |
15.65 |
-19.68 |
2 |
7 |
0 |
96 |
587.9 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5R)-2-[(N'E)-N'-[(2R)-2-methylcy
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
8.79 |
15.74 |
-51.78 |
1 |
7 |
-1 |
98 |
586.892 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
8.79 |
15.82 |
-19.22 |
2 |
7 |
0 |
96 |
587.9 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5R)-2-[(N'E)-N'-[(2S)-2-methylcy
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
8.79 |
15.66 |
-51.84 |
1 |
7 |
-1 |
98 |
586.892 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
8.79 |
15.64 |
-19.28 |
2 |
7 |
0 |
96 |
587.9 |
5 |
↓
|
|
|
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)
|
3.46 |
5.36 |
-15.3 |
3 |
7 |
0 |
107 |
363.487 |
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)
|
9.18 |
17 |
-19.44 |
2 |
6 |
0 |
80 |
553.813 |
8 |
↓
|
|
|
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)
|
9.18 |
17.04 |
-19.65 |
2 |
6 |
0 |
80 |
553.813 |
8 |
↓
|
|
|
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)
|
9.18 |
16.93 |
-20.2 |
2 |
6 |
0 |
80 |
553.813 |
8 |
↓
|
|
|
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)
|
9.18 |
16.73 |
-20.02 |
2 |
6 |
0 |
80 |
553.813 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-ylamino)-2-oxo-ethyl]amino]-N-(1,3-d
2-[[2-(4,5,6,7,8,9,10,11,12,13-d…
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)
|
6.62 |
11.88 |
-32.78 |
3 |
9 |
0 |
122 |
559.692 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
6.69 |
10.74 |
-89.05 |
2 |
9 |
-1 |
129 |
558.684 |
6 |
↓
|
|
|
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)
|
9.64 |
22.04 |
-16.13 |
2 |
5 |
0 |
57 |
638.881 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[N'-[2-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8
2-[N'-[2-[(1R,2R,4aR,8aR)-2-hydr…
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)
|
7.57 |
10.33 |
-23.54 |
4 |
7 |
0 |
103 |
560.849 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[N'-[2-[(1R,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8
2-[N'-[2-[(1R,2R,4aR,8aS)-2-hydr…
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)
|
7.57 |
10.35 |
-23.36 |
4 |
7 |
0 |
103 |
560.849 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[N'-[2-[(1R,2R,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8
2-[N'-[2-[(1R,2R,4aS,8aR)-2-hydr…
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)
|
7.57 |
11.64 |
-22.94 |
4 |
7 |
0 |
103 |
560.849 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[N'-[2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]acetyl]hydrazino]-N-(4,5,6,7,8
2-[N'-[2-[(1R,2R,4aS,8aS)-2-hydr…
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)
|
7.57 |
11.63 |
-23.49 |
4 |
7 |
0 |
103 |
560.849 |
6 |
↓
|
|
|
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)
|
7.23 |
14.76 |
-36.16 |
3 |
9 |
0 |
119 |
570.756 |
13 |
↓
|
|
|
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)
|
8.56 |
16.33 |
-35.6 |
3 |
9 |
0 |
119 |
600.826 |
15 |
↓
|
|
|
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)
|
8.56 |
16.2 |
-36.05 |
3 |
9 |
0 |
119 |
600.826 |
15 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
ethyl 2-(cinnamoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
ethyl 2-(cinnamoylamino)-4,5,6,7…
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)
|
7.59 |
1.26 |
-9.43 |
1 |
4 |
0 |
55 |
439.621 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
ethyl 2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
ethyl 2-[(3,4-dichlorobenzoyl)am…
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)
|
8.24 |
0.78 |
-8.75 |
1 |
4 |
0 |
55 |
482.473 |
5 |
↓
|
|
|
Analogs
-
5169432
-
Draw
Identity
99%
90%
80%
70%
Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244
Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
6.95 |
2.05 |
-13.32 |
1 |
6 |
0 |
73 |
459.608 |
6 |
↓
|
|
|
Analogs
-
40178626
-
-
40178666
-
-
40178677
-
-
40178678
-
-
40178736
-
Draw
Identity
99%
90%
80%
70%
Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244
Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
5.97 |
1.95 |
-9.38 |
1 |
5 |
0 |
68 |
417.571 |
4 |
↓
|
|
|
Analogs
-
631655
-
Draw
Identity
99%
90%
80%
70%
Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244
Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
6.92 |
1.17 |
-12.2 |
1 |
5 |
0 |
64 |
443.609 |
7 |
↓
|
|
|
Analogs
-
1218335
-
Draw
Identity
99%
90%
80%
70%
Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244
Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
7.43 |
2.01 |
-12.69 |
1 |
4 |
0 |
55 |
445.6 |
5 |
↓
|
|
|
Analogs
-
4176864
-
-
6956742
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[(4-methylbenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
2-[(4-methylbenzoyl)amino]-4,5,6…
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)
|
6.01 |
-2.62 |
-10.82 |
3 |
4 |
0 |
72 |
398.572 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
2-[(2-methoxybenzoyl)amino]-4,5,…
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)
|
6.12 |
-2.25 |
-14 |
3 |
5 |
0 |
81 |
414.571 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244
Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
8.69 |
1.88 |
-12.69 |
1 |
5 |
0 |
64 |
531.718 |
5 |
↓
|
|
|
Analogs
-
35938
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
ethyl 2-(2-furoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
ethyl 2-(2-furoylamino)-4,5,6,7,…
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)
|
6.21 |
1.35 |
-9.91 |
1 |
5 |
0 |
68 |
403.544 |
5 |
↓
|
|
|
Analogs
-
1946560
-
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)
|
7.74 |
1.72 |
-17.56 |
1 |
6 |
0 |
85 |
560.51 |
5 |
↓
|
|
|
Analogs
-
33809353
-
-
668774
-
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)
|
6.96 |
2.48 |
-20.69 |
1 |
6 |
0 |
85 |
481.614 |
5 |
↓
|
|
|
Analogs
-
622602
-
Draw
Identity
99%
90%
80%
70%
Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244
Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
7.37 |
1.82 |
-12.64 |
1 |
5 |
0 |
64 |
457.636 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244
Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
7.70 |
0.89 |
-9.65 |
1 |
4 |
0 |
55 |
461.693 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
3-piperazin-1-yl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazole
3-piperazin-1-yl-4,5,6,7,8,9,10,…
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)
|
4.05 |
7.79 |
-39.81 |
3 |
4 |
1 |
49 |
291.463 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
4.05 |
6.48 |
-5.03 |
2 |
4 |
0 |
44 |
290.455 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole-2-carbaldehyde
4,5,6,7,8,9,10,11,12,13-decahydr…
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)
|
4.09 |
6.69 |
-12.38 |
1 |
3 |
0 |
46 |
234.343 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazol-2-ylmethanol
4,5,6,7,8,9,10,11,12,13-decahydr…
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)
|
3.64 |
4.97 |
-27.85 |
3 |
3 |
1 |
50 |
237.367 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.64 |
4.46 |
-6.44 |
2 |
3 |
0 |
49 |
236.359 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazol-2-ylmethanamine
4,5,6,7,8,9,10,11,12,13-decahydr…
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)
|
3.49 |
5.37 |
-26.96 |
4 |
3 |
1 |
56 |
236.383 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
3.49 |
4.62 |
-6.81 |
3 |
3 |
0 |
55 |
235.375 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.49 |
5.74 |
-116.22 |
5 |
3 |
2 |
58 |
237.391 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-yl)-N-methyl-methanamine
1-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
3.86 |
6.37 |
-26.79 |
3 |
3 |
1 |
42 |
250.41 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
3.86 |
5.56 |
-4.97 |
2 |
3 |
0 |
41 |
249.402 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
3.86 |
6.99 |
-39.79 |
3 |
3 |
1 |
45 |
250.41 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)ethanamine
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
4.24 |
7.3 |
-27.01 |
3 |
3 |
1 |
42 |
264.437 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
4.24 |
6.49 |
-4.76 |
2 |
3 |
0 |
41 |
263.429 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
4.24 |
7.84 |
-38.94 |
3 |
3 |
1 |
45 |
264.437 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)propan-1-amine
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
4.74 |
9.41 |
-112.47 |
4 |
3 |
2 |
47 |
279.472 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
4.74 |
8.07 |
-27.27 |
3 |
3 |
1 |
42 |
278.464 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
4.74 |
7.25 |
-4.64 |
2 |
3 |
0 |
41 |
277.456 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)propan-2-amine
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
4.53 |
7.97 |
-27.04 |
3 |
3 |
1 |
42 |
278.464 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
4.53 |
7.18 |
-4.61 |
2 |
3 |
0 |
41 |
277.456 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
4.53 |
8.37 |
-36.86 |
3 |
3 |
1 |
45 |
278.464 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazol-2-ylmethyl)cyclopropanamine
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
4.23 |
9.23 |
-109.01 |
4 |
3 |
2 |
47 |
277.456 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
4.23 |
7.94 |
-27.11 |
3 |
3 |
1 |
42 |
276.448 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
4.23 |
7.18 |
-6.18 |
2 |
3 |
0 |
41 |
275.44 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)-2-methyl-propan-2-amine
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
5.05 |
8.38 |
-27 |
3 |
3 |
1 |
42 |
292.491 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
5.05 |
7.57 |
-4.48 |
2 |
3 |
0 |
41 |
291.483 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
5.05 |
8.8 |
-35.2 |
3 |
3 |
1 |
45 |
292.491 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)-2-methyl-propan-1-amine
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
4.98 |
10.12 |
-113.51 |
4 |
3 |
2 |
47 |
293.499 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
4.98 |
8.09 |
-4.47 |
2 |
3 |
0 |
41 |
291.483 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
4.98 |
8.9 |
-27.57 |
3 |
3 |
1 |
42 |
292.491 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)-2-methoxy-ethanamine
N-(4,5,6,7,8,9,10,11,12,13-decah…
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)
|
3.85 |
6.46 |
-27.25 |
3 |
4 |
1 |
51 |
294.463 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.85 |
5.64 |
-6.52 |
2 |
4 |
0 |
50 |
293.455 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.85 |
6.98 |
-40.23 |
3 |
4 |
1 |
55 |
294.463 |
5 |
↓
|
|