In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 17 | Yes |
Popular Name: [5-(4-ethylpiperazin-1-yl)-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(4-ethylpiperazin-1-yl)-1,3-d…
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) | 0.21 | 3.09 | -103.42 | 4 | 5 | 2 | 53 | 239.367 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.21 | 0.78 | -45.36 | 3 | 5 | 1 | 52 | 238.359 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.21 | 3.2 | -178.22 | 5 | 5 | 3 | 54 | 240.375 | 3 | ↓ |