| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | Yes |
Popular Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone 2-[4-(aminomethyl)-3,5-dimethyl-…
| 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) | -0.81 | 1.26 | -50.09 | 3 | 6 | 1 | 69 | 266.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 0.86 | -14.53 | 2 | 6 | 0 | 67 | 265.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 3.6 | -96.96 | 4 | 6 | 2 | 70 | 267.377 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
