In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 29 | 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) | 3.07 | 7.81 | -18.23 | 2 | 7 | 0 | 89 | 417.441 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.07 | 8.24 | -43.32 | 3 | 7 | 1 | 90 | 418.449 | 7 | ↓ |