In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2008 | 31 | Yes |
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) | 5.60 | 9.51 | -44.98 | 1 | 7 | -1 | 96 | 452.947 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.14 | 10.93 | -16.65 | 2 | 7 | 0 | 93 | 453.955 | 5 | ↓ |