In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 20 | Yes |
Popular Name: 2-[4-(ethylaminomethyl)-3,5-dimethyl-pyrazol-1-yl]-1-(1-piperidyl)ethanone 2-[4-(ethylaminomethyl)-3,5-dime…
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) | 0.95 | 6.55 | -44.17 | 2 | 5 | 1 | 55 | 279.408 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 5.18 | -13.54 | 1 | 5 | 0 | 50 | 278.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.