In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 25 | Yes |
Popular Name: N-[[3-ethyl-5-(4-methylpiperazin-1-yl)-1-(m-tolyl)pyrazol-4-yl]methyl]ethanamine N-[[3-ethyl-5-(4-methylpiperazin…
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) | 3.07 | 11.78 | -110.07 | 3 | 5 | 2 | 42 | 343.519 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.07 | 8.02 | -5.81 | 1 | 5 | 0 | 36 | 341.503 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.07 | 9.41 | -40 | 2 | 5 | 1 | 41 | 342.511 | 6 | ↓ |