In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2008 | 31 | 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) | 5.63 | 11.35 | -52.98 | 1 | 7 | -1 | 104 | 459.931 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.14 | 10.38 | -98.18 | 0 | 7 | -2 | 103 | 458.923 | 9 | ↓ |