In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 20 | Yes |
Popular Name: N-[[5-[(2S)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[5-[(2S)-2-ethyl-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) | 2.77 | 8.13 | -36.46 | 2 | 4 | 1 | 38 | 279.452 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 6.93 | -3.86 | 1 | 4 | 0 | 33 | 278.444 | 5 | ↓ |