In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2011 | 40 | 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) | 2.40 | 13.5 | -56.94 | 1 | 14 | 1 | 177 | 551.536 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 11.23 | -27.77 | 0 | 14 | 0 | 176 | 550.528 | 10 | ↓ |