In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 28 | 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) | -4.50 | -4.6 | -249.39 | 5 | 16 | -3 | 261 | 440.178 | 6 | ↓ |
Mid Mid (pH 6-8) | -4.50 | -5.76 | -132.4 | 6 | 16 | -2 | 258 | 441.186 | 6 | ↓ |