In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(4-ethoxyphenyl)-N'-(2-methoxyethyl)-N'-methyl-ethane-1,2-diamine (1S)-1-(4-ethoxyphenyl)-N'-(2-me…
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) | -0.13 | 2.91 | -39.01 | 3 | 4 | 1 | 49 | 253.366 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.13 | 2.11 | -4.73 | 2 | 4 | 0 | 48 | 252.358 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.13 | 4.85 | -122.55 | 4 | 4 | 2 | 51 | 254.374 | 8 | ↓ |