In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 20 | No |
Popular Name: 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarbothioamide 3-fluoro-4-[(4-propylpiperazin-1…
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) | 2.40 | 6.65 | -47.82 | 3 | 3 | 1 | 34 | 296.435 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 6.69 | -49.12 | 3 | 3 | 1 | 34 | 296.435 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 4.34 | -12.77 | 2 | 3 | 0 | 32 | 295.427 | 5 | ↓ |