In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 17 | Yes |
Popular Name: (2S)-2-(4-ethyl-4-methyl-1-piperidyl)-2-(2-furyl)ethanamine (2S)-2-(4-ethyl-4-methyl-1-piper…
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) | 1.88 | 5.84 | -125.4 | 4 | 3 | 2 | 45 | 238.375 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 5.73 | -28.63 | 3 | 3 | 1 | 44 | 237.367 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 3.98 | -44.12 | 3 | 3 | 1 | 44 | 237.367 | 4 | ↓ |