In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: (2S)-N2-(2-dimethylaminoethyl)-2,5-dimethyl-N2-propyl-hexane-1,2-diamine (2S)-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) | 2.41 | 6.01 | -93.92 | 4 | 3 | 2 | 35 | 259.482 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 3.53 | -40.87 | 3 | 3 | 1 | 34 | 258.474 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.41 | 7.68 | -211.05 | 5 | 3 | 3 | 37 | 260.49 | 10 | ↓ |