In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2009 | 31 | 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) | -0.43 | -0.6 | -59.14 | 7 | 9 | 0 | 169 | 452.891 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.43 | -2.94 | -52.27 | 6 | 9 | -1 | 167 | 451.883 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.43 | -2.98 | -66.26 | 8 | 9 | 1 | 166 | 453.899 | 2 | ↓ |