In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 30 | 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) | 3.93 | 10.34 | -77.52 | 2 | 6 | 0 | 85 | 449.334 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 11.36 | -129.9 | 1 | 6 | -1 | 88 | 448.326 | 7 | ↓ |