In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2007 | 32 | 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) | 4.56 | 7.83 | -44.57 | 1 | 7 | -1 | 96 | 450.54 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 9.76 | -13.36 | 2 | 7 | 0 | 93 | 451.548 | 7 | ↓ |