In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2009 | 20 | Yes |
Popular Name: N-(3-fluorophenyl)-4-(4-methylpiperazin-1-yl)butanamide N-(3-fluorophenyl)-4-(4-methylpi…
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) | 1.72 | 5.78 | -41.2 | 2 | 4 | 1 | 37 | 280.367 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 3.41 | -12.09 | 1 | 4 | 0 | 36 | 279.359 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 5.66 | -43.65 | 2 | 4 | 1 | 37 | 280.367 | 5 | ↓ |