| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2009 | 18 | Yes |
Popular Name: N-[[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]ethanamine N-[[1,3-dimethyl-5-(4-methylpipe…
| 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) | 0.59 | 6.75 | -98.5 | 3 | 5 | 2 | 42 | 253.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 2.98 | -4.18 | 1 | 5 | 0 | 36 | 251.378 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 4.36 | -38.04 | 2 | 5 | 1 | 41 | 252.386 | 4 | ↓ |
