In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 13 | Yes |
Popular Name: N',N'-dimethyl-N-(6-methyl-2-pyridyl)ethane-1,2-diamine N',N'-dimethyl-N-(6-methyl-2-pyr…
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) | 0.98 | 5.1 | -39.62 | 2 | 3 | 1 | 29 | 180.275 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 2.63 | -4.48 | 1 | 3 | 0 | 28 | 179.267 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.98 | 5.55 | -84.6 | 3 | 3 | 2 | 31 | 181.283 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0091790A2; US4405790 | IBM Patent Data |