In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2011 | 19 | Yes |
Popular Name: (1S)-N-methyl-N-[(1-methyl-4-piperidyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (1S)-N-methyl-N-[(1-methyl-4-pip…
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) | -0.09 | 3.61 | -97.13 | 4 | 5 | 2 | 53 | 267.421 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.09 | 4.52 | -34.36 | 3 | 5 | 1 | 52 | 266.413 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.09 | 5.65 | -209.42 | 5 | 5 | 3 | 54 | 268.429 | 5 | ↓ |