In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 28 | 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) | 2.87 | 4.48 | -42.62 | 3 | 8 | 1 | 97 | 421.886 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 3.87 | -20.57 | 2 | 8 | 0 | 95 | 420.878 | 5 | ↓ |