In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(4-fluorophenyl)-1-(4-methyl-1-piperidyl)propan-2-amine (1R,2S)-1-(4-fluorophenyl)-1-(4-…
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) | 2.44 | 7.78 | -124.9 | 4 | 2 | 2 | 32 | 252.377 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 7.38 | -32.93 | 3 | 2 | 1 | 30 | 251.369 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 6.16 | -42.11 | 3 | 2 | 1 | 31 | 251.369 | 3 | ↓ |