Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 19th, 2013 |
56 |
No
|
Other Names:
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-3-((E)-2-((1R,3R,4S)-4-chloro-3-methoxycyclohexyl)-1-methylvinyl)-8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,26,26a-hexadecahydro-5,19-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,17,20,21(4H,23H)-tetron
imus
137071-32-0; D05480; Elidel (TN); Pimecrolimus (JAN/USAN/INN)
ASM-981
ASM-998
Elidel
FDA
INN
Pimecrolimus
Pimecrolimus (BAN
Pimecrolimus (FDA
SDZ ASM 981; SDZ-ASM 981
SDZ-ASM 981
SDZ-ASM-981
USAN)
Download:
MOL2
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)
|
5.46 |
15.31 |
-14.52 |
2 |
12 |
0 |
158 |
810.466 |
6 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.46 |
16 |
-66.65 |
1 |
12 |
-1 |
161 |
809.458 |
6 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
