LigandBoxID:D00509

NAME:Phentolamine mesilate;Phentolamine mesylate;Regitine
SMILES: Cc2ccc(N(c3cccc(c3)O)CC1=NCCN1)cc2

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00509

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H19N3O 281.359 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 0.2184 -8.6634
LOGS LOGP    
$$$$ 0.9623    

Links to the same SMILES compounds

LIGANDBOX D08362 HTS1610-00000280 HTS1610-00000281 HTS1610-00000282 HTS1610-00000283
HTS1610-00000284 HTS1610-00000285 HTS1610-02289083 HTS1610-02289084 KSH2016-00015901 KSH2016-00060539
KSH2016-02046511
CHEMBL CHEMBL1200873 CHEMBL1204146 CHEMBL597
ZINC ZINC00020251
PUBCHEM 11295109 17974059 19386760 2062246 21116716
24849112 45792519 4920903 517293 5702144 5775
657359 91430 9875727 9961521


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