In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2008 | 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) | 1.76 | 6.18 | -60.76 | 0 | 8 | -1 | 91 | 449.483 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 8.44 | -74.97 | 1 | 8 | 0 | 93 | 450.491 | 6 | ↓ |