In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-N1-(2-methoxyethyl)-N1-methyl-1-(p-tolyl)butane-1,2-diamine (1R,2S)-N1-(2-methoxyethyl)-N1-m…
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) | 2.10 | 6.57 | -110.22 | 4 | 3 | 2 | 41 | 252.402 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 4.72 | -33.15 | 3 | 3 | 1 | 40 | 251.394 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 6.17 | -29.61 | 3 | 3 | 1 | 40 | 251.394 | 7 | ↓ |