Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 11th, 2014 |
57 |
No
|
Popular Name:
(-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-allyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-((E)-2-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylvinyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-15,19-epoxy-3H-p
(-)-(3S,4R,5S,8R,9E,12S,14S,15R,…
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Other Names:
(-)-FK 506; 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen
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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)
|
4.26 |
12.67 |
-15.19 |
3 |
13 |
0 |
178 |
804.031 |
7 |
↓
|
|
Hi
High (pH 8-9.5)
|
4.26 |
13.45 |
-65.11 |
2 |
13 |
-1 |
181 |
803.023 |
7 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
