In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-ethyl-N1-(2-methoxyethyl)-1-(p-tolyl)butane-1,2-diamine (1S,2S)-N1-ethyl-N1-(2-methoxyet…
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) | 2.48 | 6.59 | -108.92 | 4 | 3 | 2 | 41 | 266.429 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 5.15 | -41.16 | 3 | 3 | 1 | 40 | 265.421 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 6.28 | -30.76 | 3 | 3 | 1 | 40 | 265.421 | 8 | ↓ |