In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N2-(1-ethylpropyl)-N2-(2-methoxyethyl)-N1-methyl-1-phenyl-propane-1,2-diamine (1R,2S)-N2-(1-ethylpropyl)-N2-(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) | 3.77 | 8.23 | -100.39 | 3 | 3 | 2 | 30 | 294.483 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 8.62 | -32.03 | 2 | 3 | 1 | 29 | 293.475 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 4.73 | -2.3 | 1 | 3 | 0 | 24 | 292.467 | 10 | ↓ |