In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | Yes |
Popular Name: 2-amino-1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]ethanone 2-amino-1-[4-(5-bromo-2-pyridyl)…
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) | 0.14 | 3.29 | -53.4 | 3 | 5 | 1 | 64 | 300.18 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.14 | 2.89 | -11.35 | 2 | 5 | 0 | 62 | 299.172 | 2 | ↓ |