In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 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) | 6.45 | 14.47 | -51.25 | 0 | 5 | -1 | 73 | 489.523 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.86 | 13.68 | -18.54 | 0 | 5 | 0 | 67 | 490.531 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.89 | 12.68 | -29.66 | 1 | 5 | 0 | 71 | 490.531 | 4 | ↓ |