In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
Popular Name: 1-[4-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-1-piperidyl]ethanone 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) | 0.93 | 6.07 | -54.32 | 2 | 5 | 1 | 55 | 279.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 4.83 | -12.43 | 1 | 5 | 0 | 50 | 278.4 | 4 | ↓ |