In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2006 | 28 | 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) | 5.66 | 8.54 | -17.19 | 2 | 5 | 0 | 75 | 419.547 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.12 | 7.3 | -44.01 | 1 | 5 | -1 | 78 | 418.539 | 9 | ↓ |