In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 13 | Yes |
Popular Name: 2-[(pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride 2-[(pyridin-3-ylmethyl)amino]pro…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1396962-67-6 , 1396966-76-9
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) | -1.62 | 3.21 | -42.47 | 2 | 4 | 0 | 70 | 180.207 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 223 - 225 | Enamine Building Blocks |
MP | 223...225 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
PUBCHEM_PATENT_ID | EP0814812A1; US5916906; WO1996028167A1 | IBM Patent Data |