In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1S)-N-ethyl-N'-isobutyl-N'-isopropyl-1-phenyl-ethane-1,2-diamine (1S)-N-ethyl-N'-isobutyl-N'-isop…
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) | 3.88 | 10.36 | -111.02 | 3 | 2 | 2 | 21 | 264.457 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 9.36 | -28.92 | 2 | 2 | 1 | 16 | 263.449 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 9.14 | -31.81 | 2 | 2 | 1 | 20 | 263.449 | 8 | ↓ |