In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 23 | Yes |
Popular Name: 4-[(1R)-2-amino-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]benzene-1,3-diol 4-[(1R)-2-amino-1-[4-(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) | 0.86 | -0.58 | -97.76 | 6 | 6 | 2 | 89 | 316.405 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.86 | -0.87 | -54.27 | 5 | 6 | 1 | 87 | 315.397 | 4 | ↓ |