In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 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) | 4.21 | 11.65 | -46.39 | 2 | 6 | 1 | 71 | 449.571 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.62 | 12.33 | -54.82 | 1 | 6 | 1 | 68 | 449.571 | 10 | ↓ |