In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 39 | 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) | 4.74 | 13.04 | -54.63 | 2 | 8 | 1 | 90 | 539.693 | 14 | ↓ |
Mid Mid (pH 6-8) | 4.15 | 2.36 | -65.97 | 1 | 8 | 1 | 86 | 539.693 | 14 | ↓ |