In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 22 | 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) | 8.16 | 13.61 | -41.45 | 2 | 1 | 1 | 17 | 324.495 | 17 | ↓ |
Mid Mid (pH 6-8) | 8.16 | 12.26 | -1.88 | 1 | 1 | 0 | 12 | 323.487 | 17 | ↓ |