Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 8th, 2004 |
18 |
No
|
Other Names:
.beta.-Lapachone
2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
2H-Naphtho(1,2-b)pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl-
2H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl-
3,4-Dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione
3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-B]pyran-5,6-dione
4707-32-8
5-17-11-00459 (Beilstein Handbook Reference)
500587-45-1
AC1L1GXE
AC1Q6JBS
AK-693/21096016
AR-1L8716
ARQ 501
BCBcMAP01_000055
beta-Lapachone
Bio2_000026
Bio2_000506
BRN 0181499
BSPBio_001306
C014638
CHEMBL15192
CID3885
DCL000494
EU-0100717
HMS1361B08
HMS1791B08
HMS1989B08
HSCI1_000182
IDI1_033776
KBio2_000026
KBio2_002594
KBio2_005162
KBio3_000051
KBio3_000052
KBioGR_000026
KBioSS_000026
L2037_SIGMA
LAPACHONE, BETA
Lapachone, beta-
LS-95515
MolPort-003-946-081
NCGC00015598-01
NCGC00015598-02
NCGC00015598-08
NCGC00094066-01
NCGC00094066-02
NCGC00094066-03
NCGC00094066-04
NCGC00094066-05
NCI60_009665
NSC 26326
NSC 629749
NSC26326
NSC629749
QTL1_000048
SL 11001
ZINC01531790
|A-lapachone
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)
|
1.97 |
6.76 |
-6.78 |
0 |
3 |
0 |
43 |
244.29 |
0 |
↓
|
No pre-computed analogs available. Try a structural similarity search.