In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-N-ethyl-N'-(1-ethylpropyl)-N'-(2-methoxyethyl)-1-phenyl-ethane-1,2-diamine (1S)-N-ethyl-N'-(1-ethylpropyl)-…
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) | 3.81 | 10.04 | -111.14 | 3 | 3 | 2 | 30 | 294.483 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.81 | 7.5 | -1.39 | 1 | 3 | 0 | 24 | 292.467 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.81 | 8.54 | -31.55 | 2 | 3 | 1 | 29 | 293.475 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.81 | 8.87 | -29.51 | 2 | 3 | 1 | 26 | 293.475 | 11 | ↓ |