Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 11th, 2011 |
26 |
Yes
|
Other Names:
mycin
4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-, sulfate (1:1) (salt); 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-decahydro-6,8-bis(meth
88851-61-0; D06254; Trospectomycin sulfate (USAN)
INN); Trospectomycin Sulfate (USAN)
Spexil
Trospectomycin (BAN
Trospectomycin sulfate
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SDF
SMILES
Flexibase
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)
|
-1.16 |
-3.63 |
-38.13 |
6 |
9 |
1 |
134 |
375.442 |
5 |
↓
|
|
Hi
High (pH 8-9.5)
|
-1.16 |
-4.76 |
-9.47 |
5 |
9 |
0 |
130 |
374.434 |
5 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
