In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2009 | 33 | 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) | 4.97 | 12.35 | -35.65 | 1 | 6 | 0 | 72 | 446.547 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.97 | 11.71 | -59.92 | 2 | 6 | 1 | 69 | 447.555 | 5 | ↓ |