In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 17 | Yes |
Popular Name: [4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine [4-fluoro-3-[(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) | 0.91 | 4.02 | -96.49 | 4 | 3 | 2 | 35 | 239.338 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 3.93 | -98.94 | 4 | 3 | 2 | 35 | 239.338 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 1.56 | -52.26 | 3 | 3 | 1 | 34 | 238.33 | 3 | ↓ |