In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 18 | Yes |
Popular Name: [1-[2,5-dimethyl-4-(methylaminomethyl)pyrazol-3-yl]-4-piperidyl]methanol [1-[2,5-dimethyl-4-(methylaminom…
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) | 0.46 | 3.43 | -40.37 | 3 | 5 | 1 | 58 | 253.37 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.46 | 1.98 | -6.36 | 2 | 5 | 0 | 53 | 252.362 | 4 | ↓ |