In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (2R)-1-[(1S,2S)-2-amino-1-(4-fluorophenyl)propyl]-N-methyl-piperidine-2-carboxamide (2R)-1-[(1S,2S)-2-amino-1-(4-flu…
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) | 1.30 | 4.76 | -112.49 | 5 | 4 | 2 | 61 | 295.402 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.30 | 4.11 | -32.62 | 4 | 4 | 1 | 60 | 294.394 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 2.45 | -43.85 | 4 | 4 | 1 | 60 | 294.394 | 4 | ↓ |