In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 19 | Yes |
Popular Name: [3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]phenyl]methanamine [3-fluoro-4-[(4-propylpiperazin-…
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) | 1.79 | 5.44 | -89.55 | 4 | 3 | 2 | 35 | 267.392 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 2.74 | -4.73 | 2 | 3 | 0 | 32 | 265.376 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 5.48 | -91.83 | 4 | 3 | 2 | 35 | 267.392 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 3.13 | -49.5 | 3 | 3 | 1 | 34 | 266.384 | 5 | ↓ |