In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N2-methyl-1-phenyl-N2-[(1S)-1,2,2-trimethylpropyl]propane-1,2-diamine (1R,2S)-N1-ethyl-N2-methyl-1-phe…
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) | 4.45 | 10.05 | -104.47 | 3 | 2 | 2 | 21 | 278.484 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.45 | 7.69 | -26.91 | 2 | 2 | 1 | 16 | 277.476 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.45 | 8.76 | -36.24 | 2 | 2 | 1 | 20 | 277.476 | 7 | ↓ |