In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 29 | 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) | 4.93 | 7.99 | -41.76 | 1 | 6 | -1 | 87 | 471.356 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 9.11 | -13.37 | 2 | 6 | 0 | 84 | 472.364 | 5 | ↓ |