In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 35 | 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) | 6.67 | 13.31 | -14.71 | 1 | 8 | 0 | 110 | 489.553 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.18 | 13.22 | -45.46 | 0 | 8 | -1 | 108 | 488.545 | 8 | ↓ |