In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 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) | 4.77 | 8.61 | -9.27 | 2 | 5 | 0 | 69 | 399.853 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.77 | 9.38 | -46.59 | 1 | 5 | -1 | 72 | 398.845 | 4 | ↓ |