In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 37 | No |
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) | 2.44 | 10.77 | -52.27 | 0 | 11 | -1 | 136 | 504.523 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 13.03 | -63.52 | 1 | 11 | 0 | 137 | 505.531 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 12.27 | -54.79 | 2 | 11 | 1 | 134 | 506.539 | 7 | ↓ |