In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: (2R)-N2-(2-dimethylaminoethyl)-2-methyl-N2-propyl-octane-1,2-diamine (2R)-N2-(2-dimethylaminoethyl)-2…
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) | 3.44 | 6.98 | -103.48 | 4 | 3 | 2 | 35 | 273.509 | 12 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 4.5 | -41.19 | 3 | 3 | 1 | 34 | 272.501 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.44 | 8.61 | -221.25 | 5 | 3 | 3 | 37 | 274.517 | 12 | ↓ |