In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (2S,4S,5S)-N-[(1S)-1-(4-chlorophenyl)propyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5S)-N-[(1S)-1-(4-chloroph…
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) | 3.56 | 10.05 | -108.06 | 3 | 2 | 2 | 21 | 296.886 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 9.32 | -33.38 | 2 | 2 | 1 | 16 | 295.878 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 7.76 | -40.03 | 2 | 2 | 1 | 20 | 295.878 | 4 | ↓ |