In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2009 | 13 | Yes |
Popular Name: (2S)-2-amino-1-[4-(hydroxymethyl)-1-piperidyl]propan-1-one (2S)-2-amino-1-[4-(hydroxymethyl…
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) | -0.99 | -1.1 | -45.6 | 4 | 4 | 1 | 68 | 187.263 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.99 | -1.43 | -9.67 | 3 | 4 | 0 | 67 | 186.255 | 2 | ↓ |