In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 16 | Yes |
Popular Name: (2R)-N2-(2-dimethylaminoethyl)-2-methyl-N2-propyl-pentane-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) | 1.93 | 4.77 | -92.07 | 4 | 3 | 2 | 35 | 231.428 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 2.28 | -40.82 | 3 | 3 | 1 | 34 | 230.42 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 6.33 | -206.6 | 5 | 3 | 3 | 37 | 232.436 | 9 | ↓ |