In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2007 | 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) | 6.48 | 14.24 | -38.73 | 0 | 6 | -1 | 83 | 515.586 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.90 | 13.88 | -17.31 | 0 | 6 | 0 | 77 | 516.594 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.93 | 12.9 | -26.7 | 1 | 6 | 0 | 80 | 516.594 | 6 | ↓ |