In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 23 | Yes |
Popular Name: 1-[4-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[(3-isopropyl-1-methyl-pyra…
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) | 2.60 | 7.48 | -57.09 | 2 | 5 | 1 | 55 | 321.489 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 6.28 | -12.11 | 1 | 5 | 0 | 50 | 320.481 | 5 | ↓ |