In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 25 | Yes |
Popular Name: 431 431
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1639-60-7 , 26570-10-5 , 34427-79-7 , 469-62-5 , [72050-78-3]
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate
1639-60-7; D00482; Darvon (TN); Dextropropoxyphene hydrochloride; Propoxyphene hydrochloride (USP)
26570-10-5; D05632; Darvon-N (TN); Propoxyphene napsylate (USAN)
469-62-5; C07406; Propoxyphene
469-62-5; D07809; Dextropropoxyphene (INN); Propoxypene
[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate hydrochloride
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) | 4.98 | 12.97 | -26.55 | 1 | 3 | 1 | 31 | 340.487 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Molecular_Solubility | 5.517 | Bitter DB |
PUBCHEM_PATENT_ID | US5239086; US5356820; WO1997025988A1 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 2754 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCNH2_HUMAN | Q12809 | HERG, Human | 2754.2287 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
Voltage gated Potassium channels |