| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | No |
Popular Name: 3-fluoro-4-[(4-isopropylpiperazin-1-yl)methyl]benzenecarbothioamide 3-fluoro-4-[(4-isopropylpiperazi…
| 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) | 2.20 | 6.11 | -40.5 | 3 | 3 | 1 | 34 | 296.435 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 6.13 | -46.39 | 3 | 3 | 1 | 34 | 296.435 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 3.88 | -10.76 | 2 | 3 | 0 | 32 | 295.427 | 4 | ↓ |
