In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 21 | Yes |
Popular Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone [4-(5-bromo-2-pyridyl)piperazin-…
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) | 0.60 | 5.3 | -60.68 | 2 | 6 | 1 | 62 | 356.244 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 3.93 | -12.71 | 1 | 6 | 0 | 58 | 355.236 | 2 | ↓ |