In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 12 | Yes |
Popular Name: (2S)-N1-ethyl-N1-[(1S)-2-methoxy-1-methyl-ethyl]propane-1,2-diamine (2S)-N1-ethyl-N1-[(1S)-2-methoxy…
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) | 0.24 | 1.39 | -37.73 | 3 | 3 | 1 | 40 | 175.296 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 2.63 | -25.83 | 3 | 3 | 1 | 40 | 175.296 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 2.65 | -106.6 | 4 | 3 | 2 | 41 | 176.304 | 6 | ↓ |