| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 19 | Yes |
Popular Name: [3-fluoro-4-[(4-isopropylpiperazin-1-yl)methyl]phenyl]methanamine [3-fluoro-4-[(4-isopropylpiperaz…
| 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) | 1.58 | 4.93 | -86.29 | 4 | 3 | 2 | 35 | 267.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 2.29 | -4.22 | 2 | 3 | 0 | 32 | 265.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.96 | -92.98 | 4 | 3 | 2 | 35 | 267.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 2.71 | -48.25 | 3 | 3 | 1 | 34 | 266.384 | 4 | ↓ |
