In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 23 | Yes |
Popular Name: (2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-1-piperazin-1-yl-ethanone (2S)-2-(4-fluorophenyl)-2-(4-met…
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) | 0.63 | 5.68 | -96.84 | 3 | 5 | 2 | 45 | 322.428 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.63 | 2 | -8.83 | 1 | 5 | 0 | 39 | 320.412 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.63 | 5.41 | -105.33 | 3 | 5 | 2 | 45 | 322.428 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.63 | 4.44 | -41.05 | 2 | 5 | 1 | 40 | 321.42 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.63 | 3.31 | -52.33 | 2 | 5 | 1 | 43 | 321.42 | 3 | ↓ |