In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 19 | Yes |
Popular Name: (1S)-2-(4,4-diethyl-1-piperidyl)-1-phenyl-ethanamine (1S)-2-(4,4-diethyl-1-piperidyl)…
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) | 1.69 | 8.18 | -33.18 | 3 | 2 | 1 | 30 | 261.433 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.69 | 5.99 | -1.51 | 2 | 2 | 0 | 29 | 260.425 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 8.57 | -132.39 | 4 | 2 | 2 | 32 | 262.441 | 5 | ↓ |