In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-(1-ethyl-4-piperidyl)-N1-methyl-1-(1-methylpyrazol-4-yl)propane-1,2-diamine (1S,2R)-N1-(1-ethyl-4-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) | 0.30 | 4.22 | -96.65 | 4 | 5 | 2 | 53 | 281.448 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 3.95 | -38.6 | 3 | 5 | 1 | 52 | 280.44 | 5 | ↓ |