In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-1-(4-methyl-1-piperidyl)-1-phenyl-propan-2-amine (1R,2S)-1-(4-methyl-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) | 2.28 | 7.71 | -116.87 | 4 | 2 | 2 | 32 | 234.387 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 7.46 | -31.37 | 3 | 2 | 1 | 30 | 233.379 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 6.08 | -37.9 | 3 | 2 | 1 | 31 | 233.379 | 3 | ↓ |